##############################################################################
###                                                                        ###
###        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 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
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data_global
_audit_creation_method     'SHELXL-97'
_journal_date_recd_electronic     2010-05-20
_journal_date_accepted     2010-05-27
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      7
_journal_page_first     o1522
_journal_page_last     o1522
_journal_paper_category     QO
_journal_coeditor_code     ZS2040
_publ_contact_author_name     'Dr Xiao-Na Fan'
_publ_contact_author_address
;
Key Lab of Natural Medicine Research and Development in Jiangxi
Gannan Medical University
Ganzhou, Jiangxi 341000
People's Republic of China
;
_publ_contact_author_email     xiaonafanll@yahoo.cn
_publ_contact_author_fax     '86 797 8845982 '
_publ_contact_author_phone     '86 797 8860247 '
_publ_section_title
;
(E)-N'-(4-Nitrobenzylidene)-4-(8-quinolyloxy)butanohydrazide
;
loop_
    _publ_author_name
    _publ_author_address
    'Guo-Lun XiaHou'
;
Key Lab of Natural Medicine Research and Development in Jiangxi
Gannan Medical University
Ganzhou, Jiangxi 341000
People's Republic of China
;
    'Ye-Chun Ding'
;
Key Lab of Natural Medicine Research and Development in Jiangxi
Gannan Medical University
Ganzhou, Jiangxi 341000
People's Republic of China
;
    'Xiao-Na Fan'
;
Key Lab of Natural Medicine Research and Development in Jiangxi
Gannan Medical University
Ganzhou, Jiangxi 341000
People's Republic of China
;
data_I
_audit_creation_method     SHELXL97
_chemical_name_systematic
;
(E)-N'-(4-Nitrobenzylidene)-4-(8-quinolyloxy)butanohydrazide
;
_chemical_name_common     ?
_chemical_formula_moiety     'C20 H18 N4 O4'
_chemical_formula_sum     'C20 H18 N4 O4'
_chemical_formula_iupac     'C20 H18 N4 O4'
_chemical_formula_weight     378.38
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
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     9.836(3)
_cell_length_b     10.633(3)
_cell_length_c     17.566(5)
_cell_angle_alpha     90.00
_cell_angle_beta     92.365(7)
_cell_angle_gamma     90.00
_cell_volume     1835.6(9)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     3279
_cell_measurement_theta_min     2.24
_cell_measurement_theta_max     27.94
_cell_measurement_temperature     296(2)
_exptl_crystal_description     prism
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.22
_exptl_crystal_size_mid     0.17
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.369
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     792
_exptl_absorpt_coefficient_mu     0.098
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.9788
_exptl_absorpt_correction_T_max     0.9855
_exptl_special_details
;
;
_diffrn_ambient_temperature     296(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type
                                 'Bruker SMART CCD area-detector diffractometer'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     9957
_diffrn_reflns_av_R_equivalents     0.0358
_diffrn_reflns_av_sigmaI/netI     0.0372
_diffrn_reflns_theta_min     2.07
_diffrn_reflns_theta_max     25.04
_diffrn_reflns_theta_full     25.04
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -7
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -20
_diffrn_reflns_limit_l_max     20
_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 >
σ(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     3256
_reflns_number_gt     2345
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0710
_refine_ls_R_factor_gt     0.0435
_refine_ls_wR_factor_gt     0.1174
_refine_ls_wR_factor_ref     0.1462
_refine_ls_goodness_of_fit_ref     1.070
_refine_ls_restrained_S_all     1.070
_refine_ls_number_reflns     3256
_refine_ls_number_parameters     253
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0719P)²+0.3873P] 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     0.000
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.215
_refine_diff_density_min     -0.225
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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     'SMART (Bruker, 2007)'
_computing_cell_refinement     'SAINT (Bruker, 2007)'
_computing_data_reduction     'SAINT (Bruker, 2007)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (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
    O O1 0.75513(15) 0.53054(15) 0.16112(8) 0.0599(4) Uani d . 1 . .
    O O2 1.05475(15) 0.89991(18) 0.07985(10) 0.0749(5) Uani d . 1 . .
    O O3 0.0388(2) 0.8161(3) -0.16156(15) 0.1302(10) Uani d . 1 . .
    O O4 0.04918(18) 0.6940(2) -0.06516(13) 0.0903(6) Uani d . 1 . .
    N N1 0.50202(18) 0.48897(16) 0.10959(10) 0.0542(5) Uani d . 1 . .
    N N2 0.85327(17) 0.90258(17) 0.01739(10) 0.0499(4) Uani d . 1 . .
    H H2A 0.8844 0.9544 -0.0152 0.060 Uiso calc R 1 . .
    N N3 0.71999(16) 0.86354(16) 0.00912(10) 0.0466(4) Uani d . 1 . .
    N N4 0.0993(2) 0.7717(2) -0.10668(13) 0.0710(6) Uani d . 1 . .
    C C1 0.3767(2) 0.4663(2) 0.08357(15) 0.0651(7) Uani d . 1 . .
    H H1 0.3479 0.5042 0.0380 0.078 Uiso calc R 1 . .
    C C2 0.2845(2) 0.3894(2) 0.11982(17) 0.0685(7) Uani d . 1 . .
    H H2 0.1962 0.3793 0.0998 0.082 Uiso calc R 1 . .
    C C3 0.3263(2) 0.3297(2) 0.18475(15) 0.0642(7) Uani d . 1 . .
    H H3 0.2665 0.2777 0.2097 0.077 Uiso calc R 1 . .
    C C4 0.4606(2) 0.34635(18) 0.21447(11) 0.0472(5) Uani d . 1 . .
    C C5 0.5148(3) 0.2828(2) 0.28008(12) 0.0601(6) Uani d . 1 . .
    H H5 0.4608 0.2271 0.3063 0.072 Uiso calc R 1 . .
    C C6 0.6447(3) 0.3036(2) 0.30424(12) 0.0605(6) Uani d . 1 . .
    H H6 0.6793 0.2610 0.3471 0.073 Uiso calc R 1 . .
    C C7 0.7296(2) 0.3877(2) 0.26657(11) 0.0521(5) Uani d . 1 . .
    H H7 0.8184 0.4012 0.2851 0.063 Uiso calc R 1 . .
    C C8 0.6817(2) 0.44914(18) 0.20301(11) 0.0444(5) Uani d . 1 . .
    C C9 0.5446(2) 0.42934(17) 0.17467(10) 0.0410(5) Uani d . 1 . .
    C C10 0.8940(2) 0.5533(2) 0.18444(13) 0.0587(6) Uani d . 1 . .
    H H10A 0.9454 0.4755 0.1842 0.070 Uiso calc R 1 . .
    H H10B 0.8996 0.5879 0.2356 0.070 Uiso calc R 1 . .
    C C11 0.9503(2) 0.6450(2) 0.12900(15) 0.0663(7) Uani d . 1 . .
    H H11A 0.9384 0.6113 0.0779 0.080 Uiso calc R 1 . .
    H H11B 1.0472 0.6550 0.1401 0.080 Uiso calc R 1 . .
    C C12 0.8825(2) 0.7721(2) 0.13204(13) 0.0615(6) Uani d . 1 . .
    H H12A 0.7853 0.7618 0.1225 0.074 Uiso calc R 1 . .
    H H12B 0.8969 0.8070 0.1827 0.074 Uiso calc R 1 . .
    C C13 0.9360(2) 0.8621(2) 0.07498(13) 0.0561(6) Uani d . 1 . .
    C C14 0.6530(2) 0.90707(19) -0.04826(11) 0.0451(5) Uani d . 1 . .
    H H14 0.6949 0.9608 -0.0818 0.054 Uiso calc R 1 . .
    C C15 0.5098(2) 0.87299(17) -0.06186(10) 0.0422(5) Uani d . 1 . .
    C C16 0.4388(2) 0.9199(2) -0.12587(12) 0.0528(5) Uani d . 1 . .
    H H16 0.4825 0.9730 -0.1591 0.063 Uiso calc R 1 . .
    C C17 0.3046(2) 0.8885(2) -0.14041(13) 0.0581(6) Uani d . 1 . .
    H H17 0.2572 0.9203 -0.1831 0.070 Uiso calc R 1 . .
    C C18 0.2416(2) 0.8095(2) -0.09103(12) 0.0503(5) Uani d . 1 . .
    C C19 0.3084(2) 0.7626(2) -0.02718(12) 0.0518(5) Uani d . 1 . .
    H H19 0.2635 0.7104 0.0060 0.062 Uiso calc R 1 . .
    C C20 0.4429(2) 0.79389(19) -0.01275(11) 0.0475(5) Uani d . 1 . .
    H H20 0.4892 0.7618 0.0302 0.057 Uiso calc R 1 . .
_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
    O1 C8 . 1.363(2) ?
    O1 C10 . 1.430(2) ?
    O2 C13 . 1.235(2) ?
    O3 N4 . 1.208(3) ?
    O4 N4 . 1.220(3) ?
    N1 C1 . 1.319(3) ?
    N1 C9 . 1.358(2) ?
    N2 C13 . 1.343(3) ?
    N2 N3 . 1.377(2) ?
    N2 H2A . 0.8600 ?
    N3 C14 . 1.269(3) ?
    N4 C18 . 1.471(3) ?
    C1 C2 . 1.394(4) ?
    C1 H1 . 0.9300 ?
    C2 C3 . 1.354(4) ?
    C2 H2 . 0.9300 ?
    C3 C4 . 1.412(3) ?
    C3 H3 . 0.9300 ?
    C4 C9 . 1.413(3) ?
    C4 C5 . 1.421(3) ?
    C5 C6 . 1.348(3) ?
    C5 H5 . 0.9300 ?
    C6 C7 . 1.407(3) ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.361(3) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.433(3) ?
    C10 C11 . 1.500(3) ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C11 C12 . 1.508(3) ?
    C11 H11A . 0.9700 ?
    C11 H11B . 0.9700 ?
    C12 C13 . 1.497(3) ?
    C12 H12A . 0.9700 ?
    C12 H12B . 0.9700 ?
    C14 C15 . 1.464(3) ?
    C14 H14 . 0.9300 ?
    C15 C20 . 1.390(3) ?
    C15 C16 . 1.392(3) ?
    C16 C17 . 1.375(3) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.374(3) ?
    C17 H17 . 0.9300 ?
    C18 C19 . 1.370(3) ?
    C19 C20 . 1.377(3) ?
    C19 H19 . 0.9300 ?
    C20 H20 . 0.9300 ?
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
    C8 O1 C10 . . 118.32(16) ?
    C1 N1 C9 . . 117.24(19) ?
    C13 N2 N3 . . 121.83(18) ?
    C13 N2 H2A . . 119.1 ?
    N3 N2 H2A . . 119.1 ?
    C14 N3 N2 . . 115.79(18) ?
    O3 N4 O4 . . 123.0(2) ?
    O3 N4 C18 . . 118.4(3) ?
    O4 N4 C18 . . 118.6(2) ?
    N1 C1 C2 . . 124.4(2) ?
    N1 C1 H1 . . 117.8 ?
    C2 C1 H1 . . 117.8 ?
    C3 C2 C1 . . 118.6(2) ?
    C3 C2 H2 . . 120.7 ?
    C1 C2 H2 . . 120.7 ?
    C2 C3 C4 . . 120.0(2) ?
    C2 C3 H3 . . 120.0 ?
    C4 C3 H3 . . 120.0 ?
    C3 C4 C9 . . 116.9(2) ?
    C3 C4 C5 . . 123.6(2) ?
    C9 C4 C5 . . 119.41(19) ?
    C6 C5 C4 . . 119.8(2) ?
    C6 C5 H5 . . 120.1 ?
    C4 C5 H5 . . 120.1 ?
    C5 C6 C7 . . 121.9(2) ?
    C5 C6 H6 . . 119.0 ?
    C7 C6 H6 . . 119.0 ?
    C8 C7 C6 . . 119.9(2) ?
    C8 C7 H7 . . 120.0 ?
    C6 C7 H7 . . 120.0 ?
    C7 C8 O1 . . 125.06(19) ?
    C7 C8 C9 . . 120.23(19) ?
    O1 C8 C9 . . 114.71(16) ?
    N1 C9 C4 . . 122.77(18) ?
    N1 C9 C8 . . 118.49(17) ?
    C4 C9 C8 . . 118.73(17) ?
    O1 C10 C11 . . 107.34(19) ?
    O1 C10 H10A . . 110.2 ?
    C11 C10 H10A . . 110.2 ?
    O1 C10 H10B . . 110.2 ?
    C11 C10 H10B . . 110.2 ?
    H10A C10 H10B . . 108.5 ?
    C10 C11 C12 . . 112.5(2) ?
    C10 C11 H11A . . 109.1 ?
    C12 C11 H11A . . 109.1 ?
    C10 C11 H11B . . 109.1 ?
    C12 C11 H11B . . 109.1 ?
    H11A C11 H11B . . 107.8 ?
    C13 C12 C11 . . 112.35(19) ?
    C13 C12 H12A . . 109.1 ?
    C11 C12 H12A . . 109.1 ?
    C13 C12 H12B . . 109.1 ?
    C11 C12 H12B . . 109.1 ?
    H12A C12 H12B . . 107.9 ?
    O2 C13 N2 . . 119.3(2) ?
    O2 C13 C12 . . 121.3(2) ?
    N2 C13 C12 . . 119.38(19) ?
    N3 C14 C15 . . 120.28(19) ?
    N3 C14 H14 . . 119.9 ?
    C15 C14 H14 . . 119.9 ?
    C20 C15 C16 . . 118.90(19) ?
    C20 C15 C14 . . 121.72(18) ?
    C16 C15 C14 . . 119.38(19) ?
    C17 C16 C15 . . 120.6(2) ?
    C17 C16 H16 . . 119.7 ?
    C15 C16 H16 . . 119.7 ?
    C18 C17 C16 . . 119.1(2) ?
    C18 C17 H17 . . 120.5 ?
    C16 C17 H17 . . 120.5 ?
    C19 C18 C17 . . 121.7(2) ?
    C19 C18 N4 . . 118.3(2) ?
    C17 C18 N4 . . 120.0(2) ?
    C18 C19 C20 . . 119.2(2) ?
    C18 C19 H19 . . 120.4 ?
    C20 C19 H19 . . 120.4 ?
    C19 C20 C15 . . 120.53(19) ?
    C19 C20 H20 . . 119.7 ?
    C15 C20 H20 . . 119.7 ?
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
    C13 N2 N3 C14 . . . . -178.96(19) ?
    C9 N1 C1 C2 . . . . 2.4(3) ?
    N1 C1 C2 C3 . . . . -2.5(4) ?
    C1 C2 C3 C4 . . . . 0.2(3) ?
    C2 C3 C4 C9 . . . . 1.7(3) ?
    C2 C3 C4 C5 . . . . -176.9(2) ?
    C3 C4 C5 C6 . . . . 179.5(2) ?
    C9 C4 C5 C6 . . . . 0.9(3) ?
    C4 C5 C6 C7 . . . . 0.4(3) ?
    C5 C6 C7 C8 . . . . -1.1(3) ?
    C6 C7 C8 O1 . . . . -178.65(19) ?
    C6 C7 C8 C9 . . . . 0.5(3) ?
    C10 O1 C8 C7 . . . . 0.7(3) ?
    C10 O1 C8 C9 . . . . -178.53(17) ?
    C1 N1 C9 C4 . . . . -0.3(3) ?
    C1 N1 C9 C8 . . . . 178.11(19) ?
    C3 C4 C9 N1 . . . . -1.7(3) ?
    C5 C4 C9 N1 . . . . 176.92(18) ?
    C3 C4 C9 C8 . . . . 179.88(18) ?
    C5 C4 C9 C8 . . . . -1.5(3) ?
    C7 C8 C9 N1 . . . . -177.70(18) ?
    O1 C8 C9 N1 . . . . 1.6(3) ?
    C7 C8 C9 C4 . . . . 0.8(3) ?
    O1 C8 C9 C4 . . . . -179.99(16) ?
    C8 O1 C10 C11 . . . . 179.83(18) ?
    O1 C10 C11 C12 . . . . 65.1(3) ?
    C10 C11 C12 C13 . . . . -178.24(19) ?
    N3 N2 C13 O2 . . . . 180.00(19) ?
    N3 N2 C13 C12 . . . . -0.1(3) ?
    C11 C12 C13 O2 . . . . -66.0(3) ?
    C11 C12 C13 N2 . . . . 114.1(2) ?
    N2 N3 C14 C15 . . . . -179.17(16) ?
    N3 C14 C15 C20 . . . . 0.6(3) ?
    N3 C14 C15 C16 . . . . -178.84(18) ?
    C20 C15 C16 C17 . . . . -0.1(3) ?
    C14 C15 C16 C17 . . . . 179.41(18) ?
    C15 C16 C17 C18 . . . . -0.3(3) ?
    C16 C17 C18 C19 . . . . 0.9(3) ?
    C16 C17 C18 N4 . . . . -178.20(19) ?
    O3 N4 C18 C19 . . . . 177.6(2) ?
    O4 N4 C18 C19 . . . . -4.7(3) ?
    O3 N4 C18 C17 . . . . -3.2(3) ?
    O4 N4 C18 C17 . . . . 174.4(2) ?
    C17 C18 C19 C20 . . . . -1.1(3) ?
    N4 C18 C19 C20 . . . . 178.07(18) ?
    C18 C19 C20 C15 . . . . 0.6(3) ?
    C16 C15 C20 C19 . . . . -0.1(3) ?
    C14 C15 C20 C19 . . . . -179.55(18) ?
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
    N2 H2A O2 3_775 0.86 2.03 2.876(3) 169.9
    C12 H12A O1 . 0.97 2.57 2.912(3) 101
    C12 H12A N3 . 0.97 2.33 2.807(3) 109.3
    C10 H10B O3 4_676 0.97 2.45 3.311(3) 148.4
    C2 H2 O4 3_565 0.93 2.58 3.496(3) 166.6
