##############################################################################
#                                                                            #
# 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 Acta Crystallographica 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.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Tris(3-hydroxyimino-1-methylindolin-2-one) monohydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     '3(C9 H8 N2 O2), H2 O'
_chemical_formula_sum     'C27 H26 N6 O7'
_chemical_formula_iupac     '3C9 H8 N2 O2, H2 O'
_chemical_formula_weight     546.54
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     8.920(3)
_cell_length_b     10.811(4)
_cell_length_c     14.915(5)
_cell_angle_alpha     91.335(3)
_cell_angle_beta     101.013(3)
_cell_angle_gamma     112.784(3)
_cell_volume     1294.1(7)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     3022
_cell_measurement_theta_min     1.8
_cell_measurement_theta_max     27.5
_cell_measurement_temperature     296(2)
_exptl_crystal_description     block
_exptl_crystal_colour     yellow
_exptl_crystal_size_max     0.36
_exptl_crystal_size_mid     0.28
_exptl_crystal_size_min     0.25
_exptl_crystal_density_diffrn     1.403
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     572
_exptl_absorpt_coefficient_mu     0.104
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2005)'
_exptl_absorpt_correction_T_min     0.9440
_exptl_absorpt_correction_T_max     0.9861
_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'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     7872
_diffrn_reflns_av_R_equivalents     0.0239
_diffrn_reflns_av_sigmaI/netI     0.0409
_diffrn_reflns_theta_min     2.36
_diffrn_reflns_theta_max     25.12
_diffrn_reflns_theta_full     25.12
_diffrn_measured_fraction_theta_max     0.977
_diffrn_measured_fraction_theta_full     0.977
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     12
_diffrn_reflns_limit_l_min     -17
_diffrn_reflns_limit_l_max     16
_diffrn_standards_number     ?
_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     4512
_reflns_number_gt     3154
_reflns_threshold_expression     I>2sigma(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0730
_refine_ls_R_factor_gt     0.0472
_refine_ls_wR_factor_gt     0.1216
_refine_ls_wR_factor_ref     0.1400
_refine_ls_goodness_of_fit_ref     1.051
_refine_ls_restrained_S_all     1.051
_refine_ls_number_reflns     4512
_refine_ls_number_parameters     362
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0716P)²+0.1735P] 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     0.261
_refine_diff_density_min     -0.214
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_extinction_coef     0.029(3)
_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     'SMART (Bruker, 2002)'
_computing_cell_refinement     'SAINT (Bruker, 2002)'
_computing_data_reduction     'SAINT (Bruker, 2002)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material     'WinGX (Farrugia, 1999)'
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_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1 1.0271(3) -0.0706(3) 0.09769(15) 0.0623(7) Uani d . 1 1 . .
    H H1C 0.9774 -0.0060 0.0908 0.093 Uiso calc R 1 1 . .
    H H1D 0.9527 -0.1539 0.0614 0.093 Uiso calc R 1 1 . .
    H H1E 1.1302 -0.0366 0.0774 0.093 Uiso calc R 1 1 . .
    C C2 1.1891(3) -0.2589(2) 0.18264(15) 0.0521(6) Uani d . 1 1 . .
    H H2A 1.1852 -0.2568 0.1200 0.063 Uiso calc R 1 1 . .
    C C3 1.2550(3) -0.3391(2) 0.23265(16) 0.0574(6) Uani d . 1 1 . .
    H H3A 1.2959 -0.3919 0.2030 0.069 Uiso calc R 1 1 . .
    C C4 1.2614(3) -0.3426(2) 0.32544(16) 0.0557(6) Uani d . 1 1 . .
    H H4A 1.3074 -0.3967 0.3576 0.067 Uiso calc R 1 1 . .
    C C5 1.1999(3) -0.2663(2) 0.37148(15) 0.0478(5) Uani d . 1 1 . .
    H H5A 1.2032 -0.2694 0.4341 0.057 Uiso calc R 1 1 . .
    C C6 1.0575(2) -0.0964(2) 0.34600(13) 0.0407(5) Uani d . 1 1 . .
    C C7 1.0105(3) -0.0384(2) 0.25993(14) 0.0448(5) Uani d . 1 1 . .
    C C8 1.1296(2) -0.18248(19) 0.22847(13) 0.0399(5) Uani d . 1 1 . .
    C C9 1.1338(2) -0.18576(19) 0.32271(13) 0.0386(5) Uani d . 1 1 . .
    C C10 0.8968(3) 0.2792(3) 0.09247(17) 0.0675(7) Uani d . 1 1 . .
    H H10A 0.8865 0.2812 0.0273 0.101 Uiso calc R 1 1 . .
    H H10B 0.8290 0.1906 0.1050 0.101 Uiso calc R 1 1 . .
    H H10C 1.0111 0.3012 0.1215 0.101 Uiso calc R 1 1 . .
    C C11 0.7880(3) 0.4583(2) 0.07539(15) 0.0517(6) Uani d . 1 1 . .
    C C12 0.7441(3) 0.5409(2) 0.13851(16) 0.0500(6) Uani d . 1 1 . .
    C C13 0.7619(3) 0.5382(2) 0.31557(18) 0.0624(7) Uani d . 1 1 . .
    H H13A 0.7203 0.6035 0.3235 0.075 Uiso calc R 1 1 . .
    C C14 0.8102(3) 0.4762(3) 0.38937(18) 0.0704(7) Uani d . 1 1 . .
    H H14A 0.8017 0.5010 0.4477 0.084 Uiso calc R 1 1 . .
    C C15 0.8700(3) 0.3796(3) 0.37811(17) 0.0649(7) Uani d . 1 1 . .
    H H15A 0.9010 0.3399 0.4291 0.078 Uiso calc R 1 1 . .
    C C16 0.8857(3) 0.3390(2) 0.29342(15) 0.0536(6) Uani d . 1 1 . .
    H H16A 0.9263 0.2730 0.2861 0.064 Uiso calc R 1 1 . .
    C C17 0.7775(3) 0.5000(2) 0.22938(15) 0.0476(5) Uani d . 1 1 . .
    C C18 0.8386(2) 0.4006(2) 0.22021(14) 0.0437(5) Uani d . 1 1 . .
    C C19 0.5818(3) 0.0036(2) 0.3080(2) 0.0684(7) Uani d . 1 1 . .
    H H19A 0.6085 -0.0336 0.2572 0.103 Uiso calc R 1 1 . .
    H H19B 0.5085 -0.0682 0.3355 0.103 Uiso calc R 1 1 . .
    H H19C 0.6822 0.0540 0.3528 0.103 Uiso calc R 1 1 . .
    C C20 0.4430(3) 0.1584(3) 0.42273(17) 0.0636(7) Uani d . 1 1 . .
    H H20A 0.4850 0.1037 0.4570 0.076 Uiso calc R 1 1 . .
    C C21 0.3780(4) 0.2375(3) 0.4624(2) 0.0796(8) Uani d . 1 1 . .
    H H21A 0.3765 0.2360 0.5245 0.096 Uiso calc R 1 1 . .
    C C22 0.3155(4) 0.3182(3) 0.4117(2) 0.0831(9) Uani d . 1 1 . .
    H H22A 0.2712 0.3696 0.4399 0.100 Uiso calc R 1 1 . .
    C C23 0.3178(3) 0.3241(2) 0.31945(18) 0.0641(7) Uani d . 1 1 . .
    H H23A 0.2765 0.3796 0.2856 0.077 Uiso calc R 1 1 . .
    C C24 0.4038(3) 0.2266(2) 0.18659(15) 0.0457(5) Uani d . 1 1 . .
    C C25 0.4784(3) 0.1244(2) 0.18822(17) 0.0513(6) Uani d . 1 1 . .
    C C26 0.4435(3) 0.1635(2) 0.33104(15) 0.0469(5) Uani d . 1 1 . .
    C C27 0.3819(3) 0.2464(2) 0.27895(15) 0.0459(5) Uani d . 1 1 . .
    N N1 1.0252(2) -0.05933(18) 0.41960(11) 0.0495(5) Uani d . 1 1 . .
    N N2 1.0588(2) -0.09364(18) 0.19319(11) 0.0463(4) Uani d . 1 1 . .
    N N3 0.6924(2) 0.6279(2) 0.10394(15) 0.0642(6) Uani d . 1 1 . .
    N N4 0.8424(2) 0.37665(18) 0.12804(12) 0.0487(5) Uani d . 1 1 . .
    N N5 0.3804(2) 0.27722(18) 0.11122(13) 0.0546(5) Uani d . 1 1 . .
    N N6 0.5003(2) 0.09227(17) 0.27555(13) 0.0506(5) Uani d . 1 1 . .
    O O1 1.0755(2) -0.11735(17) 0.49500(10) 0.0646(5) Uani d . 1 1 . .
    H H1B 1.0526 -0.0908 0.5404 0.097 Uiso calc R 1 1 . .
    O O2 0.9441(2) 0.04077(16) 0.25021(11) 0.0622(5) Uani d . 1 1 . .
    O O3 0.6579(2) 0.69901(18) 0.16874(15) 0.0858(6) Uani d . 1 1 . .
    H H3C 0.6297 0.7564 0.1448 0.129 Uiso calc R 1 1 . .
    O O4 0.7795(2) 0.46187(18) -0.00736(11) 0.0718(5) Uani d . 1 1 . .
    O O5 0.3164(2) 0.37245(16) 0.12083(12) 0.0681(5) Uani d . 1 1 . .
    H H5C 0.3017 0.4030 0.0716 0.102 Uiso calc R 1 1 . .
    O O6 0.5143(2) 0.07832(18) 0.12371(13) 0.0762(5) Uani d . 1 1 . .
    O O7W 0.5777(4) 0.8629(2) 0.06685(15) 0.1353(11) Uani d . 1 1 . .
    H H7WA 0.5613 0.9341 0.0977 0.162 Uiso d R 1 1 . .
    H H7WB 0.5520 0.8683 0.0019 0.162 Uiso d R 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s 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
    C1 N2 . 1.445(3) ?
    C1 H1C . 0.9600 ?
    C1 H1D . 0.9600 ?
    C1 H1E . 0.9600 ?
    C2 C8 . 1.372(3) ?
    C2 C3 . 1.383(3) ?
    C2 H2A . 0.9300 ?
    C3 C4 . 1.376(3) ?
    C3 H3A . 0.9300 ?
    C4 C5 . 1.385(3) ?
    C4 H4A . 0.9300 ?
    C5 C9 . 1.378(3) ?
    C5 H5A . 0.9300 ?
    C6 N1 . 1.280(2) ?
    C6 C9 . 1.449(3) ?
    C6 C7 . 1.501(3) ?
    C7 O2 . 1.212(2) ?
    C7 N2 . 1.367(3) ?
    C8 N2 . 1.402(2) ?
    C8 C9 . 1.401(3) ?
    C10 N4 . 1.447(3) ?
    C10 H10A . 0.9600 ?
    C10 H10B . 0.9600 ?
    C10 H10C . 0.9600 ?
    C11 O4 . 1.224(3) ?
    C11 N4 . 1.360(3) ?
    C11 C12 . 1.487(3) ?
    C12 N3 . 1.277(3) ?
    C12 C17 . 1.448(3) ?
    C13 C14 . 1.387(4) ?
    C13 C17 . 1.389(3) ?
    C13 H13A . 0.9300 ?
    C14 C15 . 1.365(4) ?
    C14 H14A . 0.9300 ?
    C15 C16 . 1.377(3) ?
    C15 H15A . 0.9300 ?
    C16 C18 . 1.374(3) ?
    C16 H16A . 0.9300 ?
    C17 C18 . 1.396(3) ?
    C18 N4 . 1.402(3) ?
    C19 N6 . 1.452(3) ?
    C19 H19A . 0.9600 ?
    C19 H19B . 0.9600 ?
    C19 H19C . 0.9600 ?
    C20 C26 . 1.371(3) ?
    C20 C21 . 1.381(4) ?
    C20 H20A . 0.9300 ?
    C21 C22 . 1.375(4) ?
    C21 H21A . 0.9300 ?
    C22 C23 . 1.383(4) ?
    C22 H22A . 0.9300 ?
    C23 C27 . 1.370(3) ?
    C23 H23A . 0.9300 ?
    C24 N5 . 1.279(3) ?
    C24 C27 . 1.450(3) ?
    C24 C25 . 1.492(3) ?
    C25 O6 . 1.223(3) ?
    C25 N6 . 1.354(3) ?
    C26 N6 . 1.402(3) ?
    C26 C27 . 1.400(3) ?
    N1 O1 . 1.385(2) ?
    N3 O3 . 1.372(3) ?
    N5 O5 . 1.373(2) ?
    O1 H1B . 0.8200 ?
    O3 H3C . 0.8200 ?
    O5 H5C . 0.8200 ?
    O7W H7WA . 0.9600 ?
    O7W H7WB . 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
    N2 C1 H1C . . 109.5 ?
    N2 C1 H1D . . 109.5 ?
    H1C C1 H1D . . 109.5 ?
    N2 C1 H1E . . 109.5 ?
    H1C C1 H1E . . 109.5 ?
    H1D C1 H1E . . 109.5 ?
    C8 C2 C3 . . 117.9(2) ?
    C8 C2 H2A . . 121.1 ?
    C3 C2 H2A . . 121.1 ?
    C4 C3 C2 . . 121.4(2) ?
    C4 C3 H3A . . 119.3 ?
    C2 C3 H3A . . 119.3 ?
    C3 C4 C5 . . 120.7(2) ?
    C3 C4 H4A . . 119.6 ?
    C5 C4 H4A . . 119.6 ?
    C9 C5 C4 . . 118.7(2) ?
    C9 C5 H5A . . 120.7 ?
    C4 C5 H5A . . 120.7 ?
    N1 C6 C9 . . 135.00(19) ?
    N1 C6 C7 . . 117.56(17) ?
    C9 C6 C7 . . 107.45(16) ?
    O2 C7 N2 . . 126.5(2) ?
    O2 C7 C6 . . 128.18(19) ?
    N2 C7 C6 . . 105.36(16) ?
    C2 C8 N2 . . 128.31(19) ?
    C2 C8 C9 . . 121.50(19) ?
    N2 C8 C9 . . 110.19(16) ?
    C5 C9 C8 . . 119.85(17) ?
    C5 C9 C6 . . 134.28(19) ?
    C8 C9 C6 . . 105.86(17) ?
    N4 C10 H10A . . 109.5 ?
    N4 C10 H10B . . 109.5 ?
    H10A C10 H10B . . 109.5 ?
    N4 C10 H10C . . 109.5 ?
    H10A C10 H10C . . 109.5 ?
    H10B C10 H10C . . 109.5 ?
    O4 C11 N4 . . 125.8(2) ?
    O4 C11 C12 . . 127.9(2) ?
    N4 C11 C12 . . 106.29(18) ?
    N3 C12 C17 . . 135.8(2) ?
    N3 C12 C11 . . 117.3(2) ?
    C17 C12 C11 . . 106.83(18) ?
    C14 C13 C17 . . 118.1(2) ?
    C14 C13 H13A . . 121.0 ?
    C17 C13 H13A . . 121.0 ?
    C15 C14 C13 . . 121.3(2) ?
    C15 C14 H14A . . 119.3 ?
    C13 C14 H14A . . 119.3 ?
    C14 C15 C16 . . 121.9(2) ?
    C14 C15 H15A . . 119.1 ?
    C16 C15 H15A . . 119.1 ?
    C15 C16 C18 . . 117.0(2) ?
    C15 C16 H16A . . 121.5 ?
    C18 C16 H16A . . 121.5 ?
    C13 C17 C18 . . 119.1(2) ?
    C13 C17 C12 . . 134.5(2) ?
    C18 C17 C12 . . 106.35(18) ?
    C16 C18 C17 . . 122.6(2) ?
    C16 C18 N4 . . 127.6(2) ?
    C17 C18 N4 . . 109.79(18) ?
    N6 C19 H19A . . 109.5 ?
    N6 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    N6 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    C26 C20 C21 . . 117.7(2) ?
    C26 C20 H20A . . 121.2 ?
    C21 C20 H20A . . 121.2 ?
    C22 C21 C20 . . 121.2(3) ?
    C22 C21 H21A . . 119.4 ?
    C20 C21 H21A . . 119.4 ?
    C21 C22 C23 . . 120.9(3) ?
    C21 C22 H22A . . 119.5 ?
    C23 C22 H22A . . 119.5 ?
    C27 C23 C22 . . 118.7(2) ?
    C27 C23 H23A . . 120.7 ?
    C22 C23 H23A . . 120.7 ?
    N5 C24 C27 . . 135.82(19) ?
    N5 C24 C25 . . 117.7(2) ?
    C27 C24 C25 . . 106.41(18) ?
    O6 C25 N6 . . 126.0(2) ?
    O6 C25 C24 . . 127.1(2) ?
    N6 C25 C24 . . 106.86(19) ?
    C20 C26 N6 . . 128.3(2) ?
    C20 C26 C27 . . 121.6(2) ?
    N6 C26 C27 . . 110.07(19) ?
    C23 C27 C26 . . 119.9(2) ?
    C23 C27 C24 . . 133.9(2) ?
    C26 C27 C24 . . 106.19(18) ?
    C6 N1 O1 . . 112.81(16) ?
    C7 N2 C8 . . 111.12(16) ?
    C7 N2 C1 . . 123.47(17) ?
    C8 N2 C1 . . 125.22(17) ?
    C12 N3 O3 . . 112.1(2) ?
    C11 N4 C18 . . 110.72(17) ?
    C11 N4 C10 . . 123.89(18) ?
    C18 N4 C10 . . 125.39(18) ?
    C24 N5 O5 . . 111.20(18) ?
    C25 N6 C26 . . 110.46(17) ?
    C25 N6 C19 . . 124.4(2) ?
    C26 N6 C19 . . 125.0(2) ?
    N1 O1 H1B . . 109.5 ?
    N3 O3 H3C . . 109.5 ?
    N5 O5 H5C . . 109.5 ?
    H7WA O7W H7WB . . 108.0 ?
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
    O7W H7WA O6 1_565 0.96 1.82 2.752(3) 164
    O1 H1B N1 2_756 0.82 2.11 2.780(3) 139
    O7W H7WB O6 2_665 0.96 2.02 2.958(3) 165
    O7W H7WB N5 2_665 0.96 2.59 3.181(3) 120
    O3 H3C O7W . 0.82 1.78 2.579(3) 165
    O5 H5C O4 3_665 0.82 2.05 2.753(3) 144
data_global
_journal_date_recd_electronic     2011-03-17
_journal_date_accepted     2011-04-24
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      6
_journal_page_first     o1291
_journal_page_last     o1291
_journal_paper_category     QO
_journal_coeditor_code     JJ2082
_publ_contact_author_name     'Miao Yanqing'
_publ_contact_author_address
;     Xi'an Medical University
      Department of Pharmacy
      Hanguang Road No.137, Xi'an 710021
      Xi'an
      People's Republic of China
;
_publ_contact_author_email     'miaoyanqing66@163.com'
_publ_contact_author_fax     '86 29 88382693'
_publ_contact_author_phone     '86 29 88382693'
_publ_section_title
;
Tris(3-hydroxyimino-1-methylindolin-2-one) monohydrate
;
loop_
    _publ_author_name
    _publ_author_address
    'Miao, Yanqing'
;     Xi'an Medical University
      Department of Pharmacy
      Hanguang Road No. 137, Xi'an 710021
      Xi'an
      People's Republic of China
;
    'Zhang, Xiaoqing'
;     Xi'an Medical University
      Department of Pharmacy
      Hanguang Road No. 137, Xi'an 710021
      Xi'an
      People's Republic of China
;
    'Liu, Chunye'
;     Xi'an Medical University
      Department of Pharmacy
      Hanguang Road No. 137, Xi'an 710021
      Xi'an
      People's Republic of China
;
    'You, Jing'
;     Xi'an Medical University
      Department of Pharmacy
      Hanguang Road No. 137, Xi'an 710021
      Xi'an
      People's Republic of China
;
