##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
# 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.                                        #
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data_global
_audit_creation_method     'form.cif (version 2.0)'
_journal_data_validation_number     ?
_journal_date_recd_electronic     2009-10-19
_journal_date_accepted     2009-10-23
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2009
_journal_volume     65
_journal_issue     11
_journal_page_first     o2864
_journal_page_last     o2864
_journal_paper_category     QO
_journal_coeditor_code     WN2358
_publ_contact_author_name     'De-Suo Yang'
_publ_contact_author_address
;
Department of Chemistry and Chemical Engineering
Baoji University of Arts and Sciences
Baoji 721007
People's Republic of China
;
_publ_contact_author_email     desuoyang@yahoo.com.cn
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
N'-(5-Hydroxy-2-nitrobenzylidene)-2-methoxybenzohydrazide
;
loop_
    _publ_author_name
    _publ_author_address
    'De-Suo Yang'
;
Department of Chemistry and Chemical Engineering
Baoji University of Arts and Sciences
Baoji 721007
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
N'-(5-Hydroxy-2-nitrobenzylidene)-2-methoxybenzohydrazide
;
_chemical_name_common     ?
_chemical_formula_moiety     'C15 H13 N3 O5'
_chemical_formula_sum     'C15 H13 N3 O5'
_chemical_formula_iupac     'C15 H13 N3 O5'
_chemical_formula_weight     315.28
_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     8.7540(9)
_cell_length_b     9.0529(9)
_cell_length_c     18.2159(17)
_cell_angle_alpha     86.902(5)
_cell_angle_beta     83.023(5)
_cell_angle_gamma     82.509(5)
_cell_volume     1419.6(2)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2340
_cell_measurement_theta_min     2.5
_cell_measurement_theta_max     25.3
_cell_measurement_temperature     298(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colorless
_exptl_crystal_size_max     0.17
_exptl_crystal_size_mid     0.15
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.475
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     656
_exptl_absorpt_coefficient_mu     0.113
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.9810
_exptl_absorpt_correction_T_max     0.9832
_exptl_special_details
;
;
_diffrn_ambient_temperature     298(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'
_diffrn_measurement_method     ω
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     8779
_diffrn_reflns_av_R_equivalents     0.0173
_diffrn_reflns_av_sigmaI/netI     0.0364
_diffrn_reflns_theta_min     2.25
_diffrn_reflns_theta_max     27.00
_diffrn_reflns_theta_full     27.00
_diffrn_measured_fraction_theta_max     0.979
_diffrn_measured_fraction_theta_full     0.979
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     11
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -23
_diffrn_reflns_limit_l_max     23
_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     6066
_reflns_number_gt     4236
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0720
_refine_ls_R_factor_gt     0.0468
_refine_ls_wR_factor_gt     0.1065
_refine_ls_wR_factor_ref     0.1228
_refine_ls_goodness_of_fit_ref     1.036
_refine_ls_restrained_S_all     1.036
_refine_ls_number_reflns     6066
_refine_ls_number_parameters     425
_refine_ls_number_restraints     2
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0544P)²+0.1933P] 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     0.234
_refine_diff_density_min     -0.262
_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, 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     '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 0.43038(17) 0.56766(15) 0.20225(9) 0.0651(4) Uani d . 1 . .
    O O2 0.51734(15) 0.97729(14) 0.11083(7) 0.0496(3) Uani d . 1 . .
    O O3 0.04575(17) 0.86066(17) -0.04665(8) 0.0648(4) Uani d . 1 . .
    O O4 -0.19271(18) 0.88756(16) -0.06698(8) 0.0642(4) Uani d . 1 . .
    O O5 -0.22760(16) 0.36644(15) 0.16573(7) 0.0516(4) Uani d . 1 . .
    H H5 -0.1793 0.3639 0.2017 0.077 Uiso calc R 1 . .
    O O6 0.93551(17) 0.39747(18) 0.28075(8) 0.0630(4) Uani d . 1 . .
    O O7 1.02232(16) 0.21547(16) 0.48449(7) 0.0548(4) Uani d . 1 . .
    O O8 0.54241(17) -0.09248(17) 0.43071(8) 0.0655(4) Uani d . 1 . .
    O O9 0.30249(18) -0.12659(17) 0.44316(8) 0.0662(4) Uani d . 1 . .
    O O10 0.27735(16) 0.33708(14) 0.18156(7) 0.0489(3) Uani d . 1 . .
    H H10 0.3249 0.4094 0.1814 0.073 Uiso calc R 1 . .
    N N1 0.20958(17) 0.68586(16) 0.12448(8) 0.0415(4) Uani d . 1 . .
    N N2 0.32509(17) 0.76663(16) 0.13956(9) 0.0426(4) Uani d D 1 . .
    N N3 -0.08536(19) 0.82546(17) -0.03512(8) 0.0426(4) Uani d . 1 . .
    N N4 0.71155(17) 0.24869(17) 0.34137(8) 0.0405(4) Uani d . 1 . .
    N N5 0.82807(18) 0.27753(18) 0.38088(8) 0.0437(4) Uani d D 1 . .
    N N6 0.41209(19) -0.06591(17) 0.41211(8) 0.0435(4) Uani d . 1 . .
    C C1 -0.02579(19) 0.67167(19) 0.07731(9) 0.0346(4) Uani d . 1 . .
    C C2 -0.1160(2) 0.70609(19) 0.01894(9) 0.0357(4) Uani d . 1 . .
    C C3 -0.2360(2) 0.6249(2) 0.00901(10) 0.0413(4) Uani d . 1 . .
    H H3 -0.2926 0.6485 -0.0310 0.050 Uiso calc R 1 . .
    C C4 -0.2708(2) 0.5109(2) 0.05763(10) 0.0433(4) Uani d . 1 . .
    H H4 -0.3505 0.4564 0.0507 0.052 Uiso calc R 1 . .
    C C5 -0.1862(2) 0.47659(19) 0.11782(9) 0.0378(4) Uani d . 1 . .
    C C6 -0.06376(19) 0.55545(19) 0.12606(9) 0.0366(4) Uani d . 1 . .
    H H6 -0.0057 0.5296 0.1653 0.044 Uiso calc R 1 . .
    C C7 0.1012(2) 0.7541(2) 0.09190(10) 0.0398(4) Uani d . 1 . .
    H H7 0.1011 0.8542 0.0773 0.048 Uiso calc R 1 . .
    C C8 0.4347(2) 0.6969(2) 0.17976(10) 0.0404(4) Uani d . 1 . .
    C C9 0.56063(19) 0.7798(2) 0.19878(10) 0.0380(4) Uani d . 1 . .
    C C10 0.6016(2) 0.9147(2) 0.16516(10) 0.0395(4) Uani d . 1 . .
    C C11 0.7241(2) 0.9775(2) 0.18779(11) 0.0497(5) Uani d . 1 . .
    H H11 0.7510 1.0673 0.1661 0.060 Uiso calc R 1 . .
    C C12 0.8050(2) 0.9064(3) 0.24229(12) 0.0584(6) Uani d . 1 . .
    H H12 0.8865 0.9492 0.2573 0.070 Uiso calc R 1 . .
    C C13 0.7685(2) 0.7741(3) 0.27496(12) 0.0576(6) Uani d . 1 . .
    H H13 0.8250 0.7267 0.3115 0.069 Uiso calc R 1 . .
    C C14 0.6473(2) 0.7120(2) 0.25317(10) 0.0479(5) Uani d . 1 . .
    H H14 0.6224 0.6220 0.2754 0.058 Uiso calc R 1 . .
    C C15 0.5651(2) 1.1071(2) 0.07190(12) 0.0562(5) Uani d . 1 . .
    H H15A 0.5549 1.1870 0.1054 0.084 Uiso calc R 1 . .
    H H15B 0.5011 1.1353 0.0330 0.084 Uiso calc R 1 . .
    H H15C 0.6714 1.0866 0.0511 0.084 Uiso calc R 1 . .
    C C16 0.47579(19) 0.15649(19) 0.33463(9) 0.0350(4) Uani d . 1 . .
    C C17 0.3836(2) 0.04192(19) 0.35190(9) 0.0352(4) Uani d . 1 . .
    C C18 0.2637(2) 0.0237(2) 0.31102(10) 0.0404(4) Uani d . 1 . .
    H H18 0.2052 -0.0547 0.3231 0.048 Uiso calc R 1 . .
    C C19 0.2313(2) 0.1207(2) 0.25315(10) 0.0419(4) Uani d . 1 . .
    H H19 0.1525 0.1071 0.2251 0.050 Uiso calc R 1 . .
    C C20 0.3170(2) 0.23981(19) 0.23648(9) 0.0373(4) Uani d . 1 . .
    C C21 0.43944(19) 0.25484(19) 0.27658(9) 0.0365(4) Uani d . 1 . .
    H H21 0.4983 0.3329 0.2641 0.044 Uiso calc R 1 . .
    C C22 0.6037(2) 0.1839(2) 0.37580(10) 0.0400(4) Uani d . 1 . .
    H H22 0.6048 0.1544 0.4255 0.048 Uiso calc R 1 . .
    C C23 0.9387(2) 0.3552(2) 0.34549(10) 0.0413(4) Uani d . 1 . .
    C C24 1.0637(2) 0.3942(2) 0.38721(10) 0.0420(4) Uani d . 1 . .
    C C25 1.1028(2) 0.3282(2) 0.45480(11) 0.0451(5) Uani d . 1 . .
    C C26 1.2213(2) 0.3780(3) 0.48783(13) 0.0611(6) Uani d . 1 . .
    H H26 1.2481 0.3351 0.5328 0.073 Uiso calc R 1 . .
    C C27 1.2983(3) 0.4902(3) 0.45383(16) 0.0701(7) Uani d . 1 . .
    H H27 1.3751 0.5246 0.4770 0.084 Uiso calc R 1 . .
    C C28 1.2647(3) 0.5530(3) 0.38670(15) 0.0669(7) Uani d . 1 . .
    H H28 1.3199 0.6272 0.3637 0.080 Uiso calc R 1 . .
    C C29 1.1482(2) 0.5044(2) 0.35392(12) 0.0531(5) Uani d . 1 . .
    H H29 1.1252 0.5464 0.3082 0.064 Uiso calc R 1 . .
    C C30 1.0611(3) 0.1437(3) 0.55204(11) 0.0626(6) Uani d . 1 . .
    H H30A 1.1698 0.1073 0.5472 0.094 Uiso calc R 1 . .
    H H30B 1.0019 0.0617 0.5637 0.094 Uiso calc R 1 . .
    H H30C 1.0380 0.2134 0.5909 0.094 Uiso calc R 1 . .
    H H2 0.331(3) 0.8598(14) 0.1214(12) 0.080 Uiso d D 1 . .
    H H5A 0.833(3) 0.243(2) 0.4276(7) 0.080 Uiso d D 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
    O1 C8 . 1.223(2) ?
    O2 C10 . 1.361(2) ?
    O2 C15 . 1.423(2) ?
    O3 N3 . 1.2217(19) ?
    O4 N3 . 1.2228(19) ?
    O5 C5 . 1.346(2) ?
    O5 H5 . 0.8200 ?
    O6 C23 . 1.223(2) ?
    O7 C25 . 1.366(2) ?
    O7 C30 . 1.418(2) ?
    O8 N6 . 1.220(2) ?
    O9 N6 . 1.231(2) ?
    O10 C20 . 1.344(2) ?
    O10 H10 . 0.8200 ?
    N1 C7 . 1.256(2) ?
    N1 N2 . 1.3837(19) ?
    N2 C8 . 1.348(2) ?
    N2 H2 . 0.895(10) ?
    N3 C2 . 1.451(2) ?
    N4 C22 . 1.260(2) ?
    N4 N5 . 1.3764(19) ?
    N5 C23 . 1.351(2) ?
    N5 H5A . 0.895(10) ?
    N6 C17 . 1.451(2) ?
    C1 C6 . 1.387(2) ?
    C1 C2 . 1.399(2) ?
    C1 C7 . 1.474(2) ?
    C2 C3 . 1.392(2) ?
    C3 C4 . 1.364(2) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.396(2) ?
    C4 H4 . 0.9300 ?
    C5 C6 . 1.390(2) ?
    C6 H6 . 0.9300 ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.495(2) ?
    C9 C14 . 1.389(3) ?
    C9 C10 . 1.405(3) ?
    C10 C11 . 1.391(2) ?
    C11 C12 . 1.373(3) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.367(3) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.371(3) ?
    C13 H13 . 0.9300 ?
    C14 H14 . 0.9300 ?
    C15 H15A . 0.9600 ?
    C15 H15B . 0.9600 ?
    C15 H15C . 0.9600 ?
    C16 C21 . 1.385(2) ?
    C16 C17 . 1.395(2) ?
    C16 C22 . 1.475(2) ?
    C17 C18 . 1.390(2) ?
    C18 C19 . 1.367(2) ?
    C18 H18 . 0.9300 ?
    C19 C20 . 1.393(2) ?
    C19 H19 . 0.9300 ?
    C20 C21 . 1.393(2) ?
    C21 H21 . 0.9300 ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.493(2) ?
    C24 C29 . 1.388(3) ?
    C24 C25 . 1.400(3) ?
    C25 C26 . 1.394(3) ?
    C26 C27 . 1.371(3) ?
    C26 H26 . 0.9300 ?
    C27 C28 . 1.368(3) ?
    C27 H27 . 0.9300 ?
    C28 C29 . 1.373(3) ?
    C28 H28 . 0.9300 ?
    C29 H29 . 0.9300 ?
    C30 H30A . 0.9600 ?
    C30 H30B . 0.9600 ?
    C30 H30C . 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
    C10 O2 C15 . . 117.91(15) ?
    C5 O5 H5 . . 109.5 ?
    C25 O7 C30 . . 118.82(15) ?
    C20 O10 H10 . . 109.5 ?
    C7 N1 N2 . . 117.33(15) ?
    C8 N2 N1 . . 117.45(14) ?
    C8 N2 H2 . . 120.6(15) ?
    N1 N2 H2 . . 121.8(15) ?
    O3 N3 O4 . . 122.64(16) ?
    O3 N3 C2 . . 118.98(15) ?
    O4 N3 C2 . . 118.38(15) ?
    C22 N4 N5 . . 117.22(15) ?
    C23 N5 N4 . . 117.46(15) ?
    C23 N5 H5A . . 121.0(15) ?
    N4 N5 H5A . . 121.5(16) ?
    O8 N6 O9 . . 122.25(16) ?
    O8 N6 C17 . . 119.37(16) ?
    O9 N6 C17 . . 118.38(15) ?
    C6 C1 C2 . . 117.02(15) ?
    C6 C1 C7 . . 118.44(15) ?
    C2 C1 C7 . . 124.49(15) ?
    C3 C2 C1 . . 121.54(16) ?
    C3 C2 N3 . . 117.21(15) ?
    C1 C2 N3 . . 121.23(15) ?
    C4 C3 C2 . . 120.29(16) ?
    C4 C3 H3 . . 119.9 ?
    C2 C3 H3 . . 119.9 ?
    C3 C4 C5 . . 119.66(16) ?
    C3 C4 H4 . . 120.2 ?
    C5 C4 H4 . . 120.2 ?
    O5 C5 C6 . . 122.68(16) ?
    O5 C5 C4 . . 117.72(16) ?
    C6 C5 C4 . . 119.59(16) ?
    C1 C6 C5 . . 121.84(16) ?
    C1 C6 H6 . . 119.1 ?
    C5 C6 H6 . . 119.1 ?
    N1 C7 C1 . . 118.35(16) ?
    N1 C7 H7 . . 120.8 ?
    C1 C7 H7 . . 120.8 ?
    O1 C8 N2 . . 120.76(16) ?
    O1 C8 C9 . . 119.55(16) ?
    N2 C8 C9 . . 119.67(15) ?
    C14 C9 C10 . . 118.09(16) ?
    C14 C9 C8 . . 115.65(16) ?
    C10 C9 C8 . . 126.22(16) ?
    O2 C10 C11 . . 123.15(17) ?
    O2 C10 C9 . . 117.06(15) ?
    C11 C10 C9 . . 119.79(17) ?
    C12 C11 C10 . . 119.68(19) ?
    C12 C11 H11 . . 120.2 ?
    C10 C11 H11 . . 120.2 ?
    C13 C12 C11 . . 121.47(19) ?
    C13 C12 H12 . . 119.3 ?
    C11 C12 H12 . . 119.3 ?
    C12 C13 C14 . . 119.1(2) ?
    C12 C13 H13 . . 120.5 ?
    C14 C13 H13 . . 120.5 ?
    C13 C14 C9 . . 121.9(2) ?
    C13 C14 H14 . . 119.1 ?
    C9 C14 H14 . . 119.1 ?
    O2 C15 H15A . . 109.5 ?
    O2 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    O2 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    C21 C16 C17 . . 117.22(15) ?
    C21 C16 C22 . . 118.02(16) ?
    C17 C16 C22 . . 124.70(15) ?
    C18 C17 C16 . . 121.56(15) ?
    C18 C17 N6 . . 117.20(15) ?
    C16 C17 N6 . . 121.22(15) ?
    C19 C18 C17 . . 120.27(16) ?
    C19 C18 H18 . . 119.9 ?
    C17 C18 H18 . . 119.9 ?
    C18 C19 C20 . . 119.51(16) ?
    C18 C19 H19 . . 120.2 ?
    C20 C19 H19 . . 120.2 ?
    O10 C20 C21 . . 122.29(16) ?
    O10 C20 C19 . . 118.01(15) ?
    C21 C20 C19 . . 119.70(16) ?
    C16 C21 C20 . . 121.65(16) ?
    C16 C21 H21 . . 119.2 ?
    C20 C21 H21 . . 119.2 ?
    N4 C22 C16 . . 117.72(16) ?
    N4 C22 H22 . . 121.1 ?
    C16 C22 H22 . . 121.1 ?
    O6 C23 N5 . . 121.09(16) ?
    O6 C23 C24 . . 119.70(17) ?
    N5 C23 C24 . . 119.17(16) ?
    C29 C24 C25 . . 118.61(17) ?
    C29 C24 C23 . . 115.53(17) ?
    C25 C24 C23 . . 125.85(18) ?
    O7 C25 C26 . . 123.40(19) ?
    O7 C25 C24 . . 117.22(16) ?
    C26 C25 C24 . . 119.4(2) ?
    C27 C26 C25 . . 119.8(2) ?
    C27 C26 H26 . . 120.1 ?
    C25 C26 H26 . . 120.1 ?
    C28 C27 C26 . . 121.6(2) ?
    C28 C27 H27 . . 119.2 ?
    C26 C27 H27 . . 119.2 ?
    C27 C28 C29 . . 118.8(2) ?
    C27 C28 H28 . . 120.6 ?
    C29 C28 H28 . . 120.6 ?
    C28 C29 C24 . . 121.7(2) ?
    C28 C29 H29 . . 119.1 ?
    C24 C29 H29 . . 119.1 ?
    O7 C30 H30A . . 109.5 ?
    O7 C30 H30B . . 109.5 ?
    H30A C30 H30B . . 109.5 ?
    O7 C30 H30C . . 109.5 ?
    H30A C30 H30C . . 109.5 ?
    H30B C30 H30C . . 109.5 ?
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
    O5 H5 O6 1_455 0.82 1.91 2.721(2) 169
    O10 H10 O1 . 0.82 1.88 2.689(2) 168
