##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
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#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
(2Z)-2-Anilino-2-[oxido(phenyl)iminio]-N-(2-pyridyl)acetamide methanol
0.425-solvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C19 H16 N4 O2 , 0.425C H4 O'
_chemical_formula_sum     'C19.425 H17.7 N4 O2.425'
_chemical_formula_iupac     'C19 H16 N4 O2 , 0.425C H4 O'
_chemical_formula_weight     345.98
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     18.7604(3)
_cell_length_b     9.4701(2)
_cell_length_c     21.2839(5)
_cell_angle_alpha     90.00
_cell_angle_beta     104.3750(10)
_cell_angle_gamma     90.00
_cell_volume     3662.97(13)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     6743
_cell_measurement_theta_min     0.998
_cell_measurement_theta_max     25.350
_cell_measurement_temperature     293(2)
_exptl_crystal_description     plate
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.11
_exptl_crystal_size_mid     0.09
_exptl_crystal_size_min     0.02
_exptl_crystal_density_diffrn     1.255
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1453
_exptl_absorpt_coefficient_mu     0.086
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
                               '(DENZO and SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_absorpt_correction_T_min     0.9907
_exptl_absorpt_correction_T_max     0.9983
_exptl_special_details
;
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     'horizontally mounted graphite crystal'
_diffrn_measurement_device_type     'Nonius KappaCCD'
_diffrn_measurement_device     '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method     'φ and ω scans to fill asymmetric unit'
_diffrn_detector_area_resol_mean     9
_diffrn_reflns_number     12501
_diffrn_reflns_av_R_equivalents     0.0650
_diffrn_reflns_av_sigmaI/netI     0.0847
_diffrn_reflns_theta_min     3.43
_diffrn_reflns_theta_max     25.35
_diffrn_reflns_theta_full     25.35
_diffrn_measured_fraction_theta_max     0.993
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     0
_diffrn_reflns_limit_h_max     22
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -25
_diffrn_reflns_limit_l_max     24
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     .
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     6668
_reflns_number_gt     3520
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1526
_refine_ls_R_factor_gt     0.0667
_refine_ls_wR_factor_gt     0.1298
_refine_ls_wR_factor_ref     0.1557
_refine_ls_goodness_of_fit_ref     1.034
_refine_ls_restrained_S_all     0.997
_refine_ls_number_reflns     6668
_refine_ls_number_parameters     474
_refine_ls_number_restraints     548
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
            'w = 1/[σ²(Fo²)+(0.0657P)²+0.3423P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.284
_refine_diff_density_min     -0.141
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.0055(7)
_refine_ls_extinction_expression
                                  'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^'
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'COLLECT (Nonius, 2000)'
_computing_cell_refinement     'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_reduction     'DENZO (Otwinowski & Minor, 1997) and SCALEPACK'
_computing_structure_solution     'SIR92 (Altomare et al.,  1994)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
                      'ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 2006)'
_computing_publication_material     'SHELXL97 (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    N N1A 0.11545(13) 0.6719(2) 0.19762(11) 0.0661(6) Uani d DU 1 . .
    C C2A 0.09371(14) 0.8040(3) 0.18252(11) 0.0483(6) Uani d DU 1 . .
    C C3A 0.02414(14) 0.8515(3) 0.17983(13) 0.0616(7) Uani d DU 1 . .
    H H3A 0.0107 0.9443 0.1682 0.074 Uiso calc R 1 . .
    C C4A -0.02552(16) 0.7579(4) 0.19488(15) 0.0771(9) Uani d DU 1 . .
    H H4A -0.0732 0.7871 0.1935 0.092 Uiso calc R 1 . .
    C C5A -0.00442(19) 0.6229(4) 0.21166(16) 0.0817(9) Uani d DU 1 . .
    H H5A -0.0368 0.5585 0.2226 0.098 Uiso calc R 1 . .
    C C6A 0.06588(19) 0.5847(3) 0.21201(16) 0.0828(10) Uani d DU 1 . .
    H H6A 0.0801 0.4920 0.2230 0.099 Uiso calc R 1 . .
    N N7A 0.14984(11) 0.8889(2) 0.16925(9) 0.0501(6) Uani d . 1 . .
    H H7A 0.1889 0.8460 0.1652 0.060 Uiso calc R 1 . .
    C C8A 0.14887(14) 1.0299(3) 0.16219(12) 0.0502(7) Uani d . 1 . .
    O O9A 0.09855(10) 1.10851(19) 0.16598(9) 0.0668(5) Uani d . 1 . .
    C C10A 0.21768(14) 1.0904(3) 0.14793(13) 0.0471(6) Uani d . 1 . .
    N N11A 0.23810(11) 1.0608(2) 0.09302(10) 0.0524(6) Uani d . 1 . .
    H H11A 0.2816 1.0874 0.0919 0.063 Uiso calc R 1 . .
    N N12A 0.25797(11) 1.1807(2) 0.18870(10) 0.0499(5) Uani d . 1 . .
    O O13A 0.31518(9) 1.24341(18) 0.17334(8) 0.0604(5) Uani d . 1 . .
    C C14A 0.25051(13) 1.2046(3) 0.25341(12) 0.0504(7) Uani d DU 1 . .
    C C15A 0.24581(15) 1.3418(3) 0.27317(14) 0.0670(8) Uani d DU 1 . .
    H H15A 0.2466 1.4164 0.2449 0.080 Uiso calc R 1 . .
    C C16A 0.23996(17) 1.3673(4) 0.33547(17) 0.0835(9) Uani d DU 1 . .
    H H16A 0.2365 1.4596 0.3494 0.100 Uiso calc R 1 . .
    C C17A 0.23921(18) 1.2574(5) 0.37671(17) 0.0926(11) Uani d DU 1 . .
    H H17A 0.2343 1.2749 0.4184 0.111 Uiso calc R 1 . .
    C C18A 0.24558(19) 1.1217(4) 0.35712(16) 0.0885(10) Uani d DU 1 . .
    H H18A 0.2458 1.0474 0.3858 0.106 Uiso calc R 1 . .
    C C19A 0.25170(16) 1.0944(3) 0.29510(14) 0.0693(8) Uani d DU 1 . .
    H H19A 0.2566 1.0022 0.2818 0.083 Uiso calc R 1 . .
    C C20A 0.19658(15) 0.9913(3) 0.03686(12) 0.0496(7) Uani d DU 1 . .
    C C21A 0.12171(17) 1.0074(3) 0.01520(14) 0.0697(8) Uani d DU 1 . .
    H H21A 0.0962 1.0617 0.0388 0.084 Uiso calc R 1 . .
    C C22A 0.0844(2) 0.9430(4) -0.04161(17) 0.0858(10) Uani d DU 1 . .
    H H22A 0.0335 0.9522 -0.0554 0.103 Uiso calc R 1 . .
    C C23A 0.1207(2) 0.8662(4) -0.07771(16) 0.0854(10) Uani d DU 1 . .
    H H23A 0.0951 0.8253 -0.1165 0.102 Uiso calc R 1 . .
    C C24A 0.1954(2) 0.8495(3) -0.05644(16) 0.0801(9) Uani d DU 1 . .
    H H24A 0.2208 0.7974 -0.0810 0.096 Uiso calc R 1 . .
    C C25A 0.23329(16) 0.9101(3) 0.00149(14) 0.0619(7) Uani d DU 1 . .
    H H25A 0.2837 0.8958 0.0165 0.074 Uiso calc R 1 . .
    N N1B 0.36559(12) 0.1853(2) 0.04201(11) 0.0607(6) Uani d DU 1 . .
    C C2B 0.37519(14) 0.3237(3) 0.03646(13) 0.0536(7) Uani d DU 1 . .
    C C3B 0.41689(16) 0.3812(3) -0.00164(15) 0.0749(9) Uani d DU 1 . .
    H H3B 0.4225 0.4785 -0.0042 0.090 Uiso calc R 1 . .
    C C4B 0.45036(19) 0.2895(4) -0.03606(17) 0.0926(11) Uani d DU 1 . .
    H H4B 0.4791 0.3245 -0.0624 0.111 Uiso calc R 1 . .
    C C5B 0.44097(18) 0.1478(4) -0.03111(17) 0.0851(10) Uani d DU 1 . .
    H H5B 0.4628 0.0846 -0.0541 0.102 Uiso calc R 1 . .
    C C6B 0.39919(17) 0.1009(3) 0.00806(16) 0.0772(9) Uani d DU 1 . .
    H H6B 0.3935 0.0038 0.0116 0.093 Uiso calc R 1 . .
    N N7B 0.33914(11) 0.4052(2) 0.07475(10) 0.0536(6) Uani d . 1 . .
    H H7B 0.3210 0.3604 0.1023 0.064 Uiso calc R 1 . .
    C C8B 0.33054(14) 0.5460(3) 0.07221(13) 0.0532(7) Uani d . 1 . .
    O O9B 0.35086(11) 0.62721(19) 0.03605(9) 0.0702(6) Uani d . 1 . .
    C C10B 0.28999(14) 0.6032(3) 0.12011(12) 0.0485(7) Uani d . 1 . .
    N N11B 0.22196(12) 0.5613(2) 0.12126(11) 0.0564(6) Uani d . 1 . .
    H H11B 0.2086 0.5778 0.1564 0.068 Uiso calc R 1 . .
    N N12B 0.32199(11) 0.7001(2) 0.16157(10) 0.0517(6) Uani d . 1 . .
    O O13B 0.28421(9) 0.76002(18) 0.20063(8) 0.0605(5) Uani d . 1 . .
    C C14B 0.39782(14) 0.7415(3) 0.17218(12) 0.0517(7) Uani d DU 1 . .
    C C15B 0.41339(16) 0.8830(3) 0.16710(13) 0.0647(8) Uani d DU 1 . .
    H H15B 0.3756 0.9489 0.1561 0.078 Uiso calc R 1 . .
    C C16B 0.48549(18) 0.9248(4) 0.17850(14) 0.0761(9) Uani d DU 1 . .
    H H16B 0.4965 1.0195 0.1743 0.091 Uiso calc R 1 . .
    C C17B 0.54132(18) 0.8285(5) 0.19598(16) 0.0879(10) Uani d DU 1 . .
    H H17B 0.5901 0.8578 0.2038 0.105 Uiso calc R 1 . .
    C C18B 0.52519(17) 0.6890(4) 0.20198(16) 0.0870(10) Uani d DU 1 . .
    H H18B 0.5632 0.6238 0.2143 0.104 Uiso calc R 1 . .
    C C19B 0.45248(16) 0.6438(3) 0.18974(14) 0.0700(8) Uani d DU 1 . .
    H H19B 0.4414 0.5489 0.1935 0.084 Uiso calc R 1 . .
    C C25B 0.11891(15) 0.4058(3) 0.08793(15) 0.0664(8) Uani d DU 1 . .
    H H25B 0.1223 0.3862 0.1314 0.080 Uiso calc R 1 . .
    C C24B 0.06318(18) 0.3478(3) 0.0403(2) 0.0829(10) Uani d DU 1 . .
    H H24B 0.0276 0.2922 0.0518 0.099 Uiso calc R 1 . .
    C C23B 0.05954(19) 0.3712(3) -0.0239(2) 0.0888(10) Uani d DU 1 . .
    H H23B 0.0224 0.3300 -0.0559 0.107 Uiso calc R 1 . .
    C C22B 0.1108(2) 0.4551(4) -0.04032(18) 0.0916(10) Uani d DU 1 . .
    H H22B 0.1086 0.4700 -0.0839 0.110 Uiso calc R 1 . .
    C C21B 0.16563(10) 0.51847(18) 0.00578(9) 0.0730(8) Uani d DU 1 . .
    H H21B 0.1996 0.5776 -0.0062 0.088 Uiso calc R 1 . .
    C C20B 0.16951(10) 0.49270(18) 0.07069(9) 0.0549(7) Uani d RDU 1 . .
    O O51 0.30526(10) 0.73186(18) 0.33354(9) 0.119(2) Uani d PRU 0.586(7) A -1
    H H51 0.2985 0.7400 0.2941 0.178 Uiso calc PR 0.586(7) A -1
    C C51 0.38176(10) 0.76316(18) 0.36484(9) 0.133(4) Uani d PRU 0.586(7) A -1
    H H51A 0.3863 0.8606 0.3777 0.200 Uiso calc PR 0.586(7) A -1
    H H51B 0.4117 0.7453 0.3351 0.200 Uiso calc PR 0.586(7) A -1
    H H51C 0.3978 0.7043 0.4024 0.200 Uiso calc PR 0.586(7) A -1
    O O52 0.35159(10) 0.68397(18) 0.34082(9) 0.143(7) Uani d PRU 0.264(7) A -2
    H H52 0.3218 0.6949 0.3058 0.215 Uiso calc PR 0.264(7) A -2
    C C52 0.40649(10) 0.80407(18) 0.35212(9) 0.171(11) Uani d PRU 0.264(7) A -2
    H H52A 0.3823 0.8894 0.3339 0.257 Uiso calc PR 0.264(7) A -2
    H H52B 0.4455 0.7825 0.3318 0.257 Uiso calc PR 0.264(7) A -2
    H H52C 0.4265 0.8165 0.3979 0.257 Uiso calc PR 0.264(7) A -2
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    N1A C2A . 1.331(3) ?
    N1A C6A . 1.335(4) ?
    C2A C3A . 1.368(3) ?
    C2A N7A . 1.408(3) ?
    C3A C4A . 1.380(4) ?
    C3A H3A . 0.9300 ?
    C4A C5A . 1.360(4) ?
    C4A H4A . 0.9300 ?
    C5A C6A . 1.366(4) ?
    C5A H5A . 0.9300 ?
    C6A H6A . 0.9300 ?
    N7A C8A . 1.343(3) ?
    N7A H7A . 0.8600 ?
    C8A O9A . 1.221(3) ?
    C8A C10A . 1.511(3) ?
    C10A N12A . 1.315(3) ?
    C10A N11A . 1.347(3) ?
    N11A C20A . 1.417(3) ?
    N11A H11A . 0.8600 ?
    N12A O13A . 1.336(2) ?
    N12A C14A . 1.436(3) ?
    C14A C19A . 1.366(4) ?
    C14A C15A . 1.376(4) ?
    C15A C16A . 1.379(4) ?
    C15A H15A . 0.9300 ?
    C16A C17A . 1.364(5) ?
    C16A H16A . 0.9300 ?
    C17A C18A . 1.365(5) ?
    C17A H17A . 0.9300 ?
    C18A C19A . 1.378(4) ?
    C18A H18A . 0.9300 ?
    C19A H19A . 0.9300 ?
    C20A C21A . 1.374(4) ?
    C20A C25A . 1.375(4) ?
    C21A C22A . 1.380(4) ?
    C21A H21A . 0.9300 ?
    C22A C23A . 1.358(4) ?
    C22A H22A . 0.9300 ?
    C23A C24A . 1.372(5) ?
    C23A H23A . 0.9300 ?
    C24A C25A . 1.385(4) ?
    C24A H24A . 0.9300 ?
    C25A H25A . 0.9300 ?
    N1B C2B . 1.332(3) ?
    N1B C6B . 1.336(3) ?
    C2B C3B . 1.372(4) ?
    C2B N7B . 1.410(3) ?
    C3B C4B . 1.384(4) ?
    C3B H3B . 0.9300 ?
    C4B C5B . 1.361(4) ?
    C4B H4B . 0.9300 ?
    C5B C6B . 1.353(4) ?
    C5B H5B . 0.9300 ?
    C6B H6B . 0.9300 ?
    N7B C8B . 1.343(3) ?
    N7B H7B . 0.8600 ?
    C8B O9B . 1.214(3) ?
    C8B C10B . 1.516(4) ?
    C10B N12B . 1.311(3) ?
    C10B N11B . 1.342(3) ?
    N11B C20B . 1.422(3) ?
    N11B H11B . 0.8600 ?
    N12B O13B . 1.344(2) ?
    N12B C14B . 1.438(3) ?
    C14B C19B . 1.363(4) ?
    C14B C15B . 1.381(4) ?
    C15B C16B . 1.372(4) ?
    C15B H15B . 0.9300 ?
    C16B C17B . 1.369(4) ?
    C16B H16B . 0.9300 ?
    C17B C18B . 1.369(5) ?
    C17B H17B . 0.9300 ?
    C18B C19B . 1.391(4) ?
    C18B H18B . 0.9300 ?
    C19B H19B . 0.9300 ?
    C25B C20B . 1.374(3) ?
    C25B C24B . 1.377(4) ?
    C25B H25B . 0.9300 ?
    C24B C23B . 1.368(5) ?
    C24B H24B . 0.9300 ?
    C23B C22B . 1.358(5) ?
    C23B H23B . 0.9300 ?
    C22B C21B . 1.371(4) ?
    C22B H22B . 0.9300 ?
    C21B C20B . 1.3870 ?
    C21B H21B . 0.9300 ?
    O51 C51 . 1.4549 ?
    O51 H51 . 0.8200 ?
    C51 H51A . 0.9600 ?
    C51 H51B . 0.9600 ?
    C51 H51C . 0.9600 ?
    O52 C52 . 1.5130 ?
    O52 H52 . 0.8200 ?
    C52 H52A . 0.9600 ?
    C52 H52B . 0.9600 ?
    C52 H52C . 0.9600 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    C2A N1A C6A . . 116.6(2) ?
    N1A C2A C3A . . 123.5(2) ?
    N1A C2A N7A . . 112.7(2) ?
    C3A C2A N7A . . 123.8(2) ?
    C2A C3A C4A . . 118.1(3) ?
    C2A C3A H3A . . 121.0 ?
    C4A C3A H3A . . 121.0 ?
    C5A C4A C3A . . 119.7(3) ?
    C5A C4A H4A . . 120.1 ?
    C3A C4A H4A . . 120.1 ?
    C4A C5A C6A . . 117.9(3) ?
    C4A C5A H5A . . 121.0 ?
    C6A C5A H5A . . 121.0 ?
    N1A C6A C5A . . 124.2(3) ?
    N1A C6A H6A . . 117.9 ?
    C5A C6A H6A . . 117.9 ?
    C8A N7A C2A . . 126.9(2) ?
    C8A N7A H7A . . 116.6 ?
    C2A N7A H7A . . 116.6 ?
    O9A C8A N7A . . 126.0(2) ?
    O9A C8A C10A . . 119.7(2) ?
    N7A C8A C10A . . 114.3(2) ?
    N12A C10A N11A . . 117.8(2) ?
    N12A C10A C8A . . 119.6(2) ?
    N11A C10A C8A . . 122.5(2) ?
    C10A N11A C20A . . 127.8(2) ?
    C10A N11A H11A . . 116.1 ?
    C20A N11A H11A . . 116.1 ?
    C10A N12A O13A . . 119.5(2) ?
    C10A N12A C14A . . 123.9(2) ?
    O13A N12A C14A . . 116.11(19) ?
    C19A C14A C15A . . 121.0(3) ?
    C19A C14A N12A . . 120.8(2) ?
    C15A C14A N12A . . 118.1(2) ?
    C14A C15A C16A . . 119.1(3) ?
    C14A C15A H15A . . 120.5 ?
    C16A C15A H15A . . 120.5 ?
    C17A C16A C15A . . 120.1(3) ?
    C17A C16A H16A . . 120.0 ?
    C15A C16A H16A . . 120.0 ?
    C16A C17A C18A . . 120.4(3) ?
    C16A C17A H17A . . 119.8 ?
    C18A C17A H17A . . 119.8 ?
    C17A C18A C19A . . 120.2(3) ?
    C17A C18A H18A . . 119.9 ?
    C19A C18A H18A . . 119.9 ?
    C14A C19A C18A . . 119.2(3) ?
    C14A C19A H19A . . 120.4 ?
    C18A C19A H19A . . 120.4 ?
    C21A C20A C25A . . 119.2(3) ?
    C21A C20A N11A . . 122.3(2) ?
    C25A C20A N11A . . 118.5(2) ?
    C20A C21A C22A . . 120.0(3) ?
    C20A C21A H21A . . 120.0 ?
    C22A C21A H21A . . 120.0 ?
    C23A C22A C21A . . 121.0(3) ?
    C23A C22A H22A . . 119.5 ?
    C21A C22A H22A . . 119.5 ?
    C22A C23A C24A . . 119.4(3) ?
    C22A C23A H23A . . 120.3 ?
    C24A C23A H23A . . 120.3 ?
    C23A C24A C25A . . 120.1(3) ?
    C23A C24A H24A . . 119.9 ?
    C25A C24A H24A . . 119.9 ?
    C20A C25A C24A . . 120.2(3) ?
    C20A C25A H25A . . 119.9 ?
    C24A C25A H25A . . 119.9 ?
    C2B N1B C6B . . 116.7(2) ?
    N1B C2B C3B . . 123.5(2) ?
    N1B C2B N7B . . 113.1(2) ?
    C3B C2B N7B . . 123.4(3) ?
    C2B C3B C4B . . 117.7(3) ?
    C2B C3B H3B . . 121.2 ?
    C4B C3B H3B . . 121.2 ?
    C5B C4B C3B . . 119.6(3) ?
    C5B C4B H4B . . 120.2 ?
    C3B C4B H4B . . 120.2 ?
    C6B C5B C4B . . 118.5(3) ?
    C6B C5B H5B . . 120.8 ?
    C4B C5B H5B . . 120.8 ?
    N1B C6B C5B . . 124.0(3) ?
    N1B C6B H6B . . 118.0 ?
    C5B C6B H6B . . 118.0 ?
    C8B N7B C2B . . 126.1(2) ?
    C8B N7B H7B . . 116.9 ?
    C2B N7B H7B . . 116.9 ?
    O9B C8B N7B . . 126.9(2) ?
    O9B C8B C10B . . 119.3(2) ?
    N7B C8B C10B . . 113.8(2) ?
    N12B C10B N11B . . 118.2(2) ?
    N12B C10B C8B . . 118.7(2) ?
    N11B C10B C8B . . 123.0(2) ?
    C10B N11B C20B . . 127.1(2) ?
    C10B N11B H11B . . 116.4 ?
    C20B N11B H11B . . 116.4 ?
    C10B N12B O13B . . 119.2(2) ?
    C10B N12B C14B . . 124.5(2) ?
    O13B N12B C14B . . 116.1(2) ?
    C19B C14B C15B . . 121.4(3) ?
    C19B C14B N12B . . 120.4(2) ?
    C15B C14B N12B . . 118.2(2) ?
    C16B C15B C14B . . 119.0(3) ?
    C16B C15B H15B . . 120.5 ?
    C14B C15B H15B . . 120.5 ?
    C17B C16B C15B . . 120.7(3) ?
    C17B C16B H16B . . 119.7 ?
    C15B C16B H16B . . 119.7 ?
    C18B C17B C16B . . 119.8(3) ?
    C18B C17B H17B . . 120.1 ?
    C16B C17B H17B . . 120.1 ?
    C17B C18B C19B . . 120.6(3) ?
    C17B C18B H18B . . 119.7 ?
    C19B C18B H18B . . 119.7 ?
    C14B C19B C18B . . 118.6(3) ?
    C14B C19B H19B . . 120.7 ?
    C18B C19B H19B . . 120.7 ?
    C20B C25B C24B . . 119.4(3) ?
    C20B C25B H25B . . 120.3 ?
    C24B C25B H25B . . 120.3 ?
    C23B C24B C25B . . 120.8(3) ?
    C23B C24B H24B . . 119.6 ?
    C25B C24B H24B . . 119.6 ?
    C22B C23B C24B . . 119.2(3) ?
    C22B C23B H23B . . 120.4 ?
    C24B C23B H23B . . 120.4 ?
    C23B C22B C21B . . 121.7(3) ?
    C23B C22B H22B . . 119.2 ?
    C21B C22B H22B . . 119.2 ?
    C22B C21B C20B . . 118.70(19) ?
    C22B C21B H21B . . 120.7 ?
    C20B C21B H21B . . 120.7 ?
    C25B C20B C21B . . 120.18(15) ?
    C25B C20B N11B . . 117.8(2) ?
    C21B C20B N11B . . 121.92(11) ?
    C51 O51 H51 . . 109.5 ?
    O51 C51 H51A . . 109.5 ?
    O51 C51 H51B . . 109.5 ?
    H51A C51 H51B . . 109.5 ?
    O51 C51 H51C . . 109.5 ?
    H51A C51 H51C . . 109.5 ?
    H51B C51 H51C . . 109.5 ?
    C52 O52 H52 . . 109.5 ?
    O52 C52 H52A . . 109.5 ?
    O52 C52 H52B . . 109.5 ?
    H52A C52 H52B . . 109.5 ?
    O52 C52 H52C . . 109.5 ?
    H52A C52 H52C . . 109.5 ?
    H52B C52 H52C . . 109.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    C6A N1A C2A C3A . . . . -1.5(4) ?
    C6A N1A C2A N7A . . . . 178.9(2) ?
    N1A C2A C3A C4A . . . . 1.4(4) ?
    N7A C2A C3A C4A . . . . -179.1(2) ?
    C2A C3A C4A C5A . . . . -0.1(4) ?
    C3A C4A C5A C6A . . . . -0.9(5) ?
    C2A N1A C6A C5A . . . . 0.4(5) ?
    C4A C5A C6A N1A . . . . 0.8(5) ?
    N1A C2A N7A C8A . . . . -169.3(2) n
    C3A C2A N7A C8A . . . . 11.1(4) ?
    C2A N7A C8A O9A . . . . -0.2(4) n
    C2A N7A C8A C10A . . . . -179.8(2) n
    O9A C8A C10A N12A . . . . 61.7(3) n
    N7A C8A C10A N12A . . . . -118.6(2) n
    O9A C8A C10A N11A . . . . -115.0(3) n
    N7A C8A C10A N11A . . . . 64.7(3) n
    N12A C10A N11A C20A . . . . -166.1(2) n
    C8A C10A N11A C20A . . . . 10.6(4) n
    N11A C10A N12A O13A . . . . 2.6(3) n
    C8A C10A N12A O13A . . . . -174.2(2) n
    N11A C10A N12A C14A . . . . -169.2(2) n
    C8A C10A N12A C14A . . . . 13.9(3) n
    C10A N12A C14A C19A . . . . 51.8(3) ?
    O13A N12A C14A C19A . . . . -120.2(3) ?
    C10A N12A C14A C15A . . . . -131.3(3) ?
    O13A N12A C14A C15A . . . . 56.6(3) ?
    C19A C14A C15A C16A . . . . -2.0(4) ?
    N12A C14A C15A C16A . . . . -178.8(2) ?
    C14A C15A C16A C17A . . . . 0.3(4) ?
    C15A C16A C17A C18A . . . . 1.2(5) ?
    C16A C17A C18A C19A . . . . -1.0(5) ?
    C15A C14A C19A C18A . . . . 2.2(4) ?
    N12A C14A C19A C18A . . . . 179.0(3) ?
    C17A C18A C19A C14A . . . . -0.7(5) ?
    C10A N11A C20A C21A . . . . 35.0(4) ?
    C10A N11A C20A C25A . . . . -147.9(2) ?
    C25A C20A C21A C22A . . . . -0.3(4) ?
    N11A C20A C21A C22A . . . . 176.7(2) ?
    C20A C21A C22A C23A . . . . -1.7(5) ?
    C21A C22A C23A C24A . . . . 1.7(5) ?
    C22A C23A C24A C25A . . . . 0.2(5) ?
    C21A C20A C25A C24A . . . . 2.3(4) ?
    N11A C20A C25A C24A . . . . -174.9(2) ?
    C23A C24A C25A C20A . . . . -2.3(4) ?
    C6B N1B C2B C3B . . . . 0.1(4) ?
    C6B N1B C2B N7B . . . . -178.8(2) ?
    N1B C2B C3B C4B . . . . 0.2(4) ?
    N7B C2B C3B C4B . . . . 179.0(3) ?
    C2B C3B C4B C5B . . . . 0.0(5) ?
    C3B C4B C5B C6B . . . . -0.4(5) ?
    C2B N1B C6B C5B . . . . -0.5(5) ?
    C4B C5B C6B N1B . . . . 0.7(5) ?
    N1B C2B N7B C8B . . . . -170.1(2) n
    C3B C2B N7B C8B . . . . 11.0(4) ?
    C2B N7B C8B O9B . . . . 1.5(4) n
    C2B N7B C8B C10B . . . . -179.3(2) n
    O9B C8B C10B N12B . . . . -57.1(3) n
    N7B C8B C10B N12B . . . . 123.6(2) n
    O9B C8B C10B N11B . . . . 121.4(3) n
    N7B C8B C10B N11B . . . . -57.8(3) n
    N12B C10B N11B C20B . . . . 159.7(2) n
    C8B C10B N11B C20B . . . . -18.9(4) n
    N11B C10B N12B O13B . . . . -4.1(3) n
    C8B C10B N12B O13B . . . . 174.5(2) n
    N11B C10B N12B C14B . . . . 171.1(2) n
    C8B C10B N12B C14B . . . . -10.3(4) n
    C10B N12B C14B C19B . . . . -56.8(4) ?
    O13B N12B C14B C19B . . . . 118.6(3) ?
    C10B N12B C14B C15B . . . . 126.2(3) ?
    O13B N12B C14B C15B . . . . -58.4(3) ?
    C19B C14B C15B C16B . . . . 1.6(4) ?
    N12B C14B C15B C16B . . . . 178.6(2) ?
    C14B C15B C16B C17B . . . . -1.4(4) ?
    C15B C16B C17B C18B . . . . 0.2(5) ?
    C16B C17B C18B C19B . . . . 0.7(5) ?
    C15B C14B C19B C18B . . . . -0.7(4) ?
    N12B C14B C19B C18B . . . . -177.6(3) ?
    C17B C18B C19B C14B . . . . -0.5(5) ?
    C20B C25B C24B C23B . . . . 2.7(4) ?
    C25B C24B C23B C22B . . . . -1.4(5) ?
    C24B C23B C22B C21B . . . . -0.8(5) ?
    C23B C22B C21B C20B . . . . 1.6(4) ?
    C24B C25B C20B C21B . . . . -1.8(3) ?
    C24B C25B C20B N11B . . . . 174.1(2) ?
    C22B C21B C20B C25B . . . . -0.3(2) ?
    C22B C21B C20B N11B . . . . -176.0(3) ?
    C10B N11B C20B C25B . . . . 152.2(2) ?
    C10B N11B C20B C21B . . . . -32.0(3) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    N7A H7A O13B . 0.86 1.94 2.730(3) 152 y
    N11A H11A N1B 1_565 0.86 2.30 3.095(3) 153 y
    N11A H11A O13A . 0.86 2.25 2.603(3) 105 y
    N7B H7B O13A 1_545 0.86 1.90 2.724(3) 160 y
    N11B H11B N1A . 0.86 2.32 3.056(3) 144 y
    N11B H11B O13B . 0.86 2.28 2.604(3) 102 y
    O51 H51 O13B . 0.82 1.95 2.770(3) 179 y
data_global
_journal_date_recd_electronic     2007-09-24
_journal_date_accepted     2008-01-30
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      3
_journal_page_first     o599
_journal_page_last     o600
_journal_paper_category     QO
_journal_coeditor_code     ER2043
_publ_contact_author_name     'Dr Maciej Hodorowicz'
_publ_contact_author_address
;
Faculty of Chemistry
Jagiellonian University
Ingardena 3
30-060 Krakow
Poland
;
_publ_contact_author_email     hodorowm@chemia.uj.edu.pl
_publ_contact_author_fax     '+48 12 6340515'
_publ_contact_author_phone     '+48 12 6632059'
_publ_section_title
;
(2Z)-2-Anilino-2-[oxido(phenyl)iminio]-N-(2-pyridyl)acetamide
methanol 0.425-solvate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Hodorowicz, Maciej' .
;
Faculty of Chemistry
Jagiellonian University
Ingardena 3, 30-060 Kraków,
Poland
;
    'Stadnicka, Katarzyna' .
;
Faculty of Chemistry
Jagiellonian University
Ingardena 3, 30-060 Kraków,
Poland
;
    'Trzewik, Bartosz' .
;
Faculty of Chemistry
Jagiellonian University
Ingardena 3, 30-060 Kraków,
Poland
;
    'Zaleska, Barbara' .
;
Faculty of Chemistry
Jagiellonian University
Ingardena 3, 30-060 Kraków,
Poland
;
