##############################################################################
###                                                                        ###
###        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     2010-03-24
_journal_date_accepted     2010-03-25
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2010
_journal_volume     66
_journal_issue      4
_journal_page_first     o996
_journal_page_last     o996
_journal_paper_category     QO
_journal_coeditor_code     HB5375
_publ_contact_author_name     'Dr. Ju-Xiong Liu'
_publ_contact_author_address
;  College of Animal Science and Veterinary Medicine,
Jilin University,
Changchun 130062
People's Republic of China
;
_publ_contact_author_email     jlliubo@yeah.net
_publ_contact_author_fax     '+86 411 86111254'
_publ_contact_author_phone     '+86 411 86111223'
_publ_section_title
;
(E)-N'-(2,5-Dimethoxybenzylidene)-2,4-dihydroxybenzohydrazide
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Jing-Yuan Wei' .
; College of Animal Science and Veterinary Medicine,
Jilin University,
Changchun 130062
People's Republic of China
;
    'De-Guang Song' .
; College of Animal Science and Veterinary Medicine,
Jilin University,
Changchun 130062
People's Republic of China
;
    'Da-Cheng Wang' .
; College of Animal Science and Veterinary Medicine,
Jilin University,
Changchun 130062
People's Republic of China
;
    'Xu-Ming Deng' .
; College of Animal Science and Veterinary Medicine,
Jilin University,
Changchun 130062
People's Republic of China
;
    'Ju-Xiong Liu' .
; College of Animal Science and Veterinary Medicine,
Jilin University,
Changchun 130062
People's Republic of China
;
    'Bo Liu' .
; College of Animal Science and Veterinary Medicine,
Jilin University,
Changchun 130062
People's Republic of China
;
data_I
_chemical_name_systematic
;
(E)-N'-(2,5-Dimethoxybenzylidene)-2,4-dihydroxybenzohydrazide
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H16 N2 O5'
_chemical_formula_sum     'C16 H16 N2 O5'
_chemical_formula_iupac     'C16 H16 N2 O5'
_chemical_formula_weight     316.31
_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     7.8600(16)
_cell_length_b     15.358(3)
_cell_length_c     12.425(3)
_cell_angle_alpha     90.00
_cell_angle_beta     99.80(3)
_cell_angle_gamma     90.00
_cell_volume     1478.0(5)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     1224
_cell_measurement_theta_min     2.65
_cell_measurement_theta_max     22.43
_cell_measurement_temperature     295
_exptl_crystal_description     block
_exptl_crystal_colour     'light yellow'
_exptl_crystal_size_max     0.18
_exptl_crystal_size_mid     0.17
_exptl_crystal_size_min     0.15
_exptl_crystal_density_diffrn     1.421
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     664
_exptl_absorpt_coefficient_mu     0.107
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.981
_exptl_absorpt_correction_T_max     0.984
_exptl_special_details
;
;
_diffrn_ambient_temperature     295
_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     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     7757
_diffrn_reflns_av_R_equivalents     0.0392
_diffrn_reflns_av_sigmaI/netI     0.0441
_diffrn_reflns_theta_min     2.13
_diffrn_reflns_theta_max     25.05
_diffrn_reflns_theta_full     25.05
_diffrn_measured_fraction_theta_max     0.999
_diffrn_measured_fraction_theta_full     0.999
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     8
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     -13
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     0
_diffrn_standards_interval_count     .
_diffrn_standards_interval_time     .
_diffrn_standards_decay_%     0
_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     2626
_reflns_number_gt     1698
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0773
_refine_ls_R_factor_gt     0.0433
_refine_ls_wR_factor_gt     0.0953
_refine_ls_wR_factor_ref     0.1121
_refine_ls_goodness_of_fit_ref     1.019
_refine_ls_restrained_S_all     1.019
_refine_ls_number_reflns     2626
_refine_ls_number_parameters     212
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0464P)²+0.2321P] 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     0.148
_refine_diff_density_min     -0.201
_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 (Siemens, 1996)'
_computing_cell_refinement     'SAINT (Siemens, 1996)'
_computing_data_reduction     'SAINT (Siemens, 1996)'
_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 0.5668(2) 0.18995(10) 0.34476(11) 0.0523(5) Uani d . 1 . .
    H H1 0.6007 0.2404 0.3438 0.078 Uiso calc R 1 . .
    O O2 0.2931(2) -0.02763(10) 0.10807(13) 0.0623(5) Uani d . 1 . .
    H H2 0.3162 -0.0573 0.1635 0.093 Uiso calc R 1 . .
    O O3 0.6343(2) 0.33256(9) 0.26549(11) 0.0477(4) Uani d . 1 . .
    O O4 0.7730(2) 0.58885(10) -0.13674(12) 0.0569(5) Uani d . 1 . .
    O O5 1.0792(2) 0.67891(10) 0.28127(12) 0.0529(4) Uani d . 1 . .
    N N1 0.6247(2) 0.35121(10) 0.08522(13) 0.0390(5) Uani d . 1 . .
    H H1A 0.5957 0.3331 0.0192 0.047 Uiso calc R 1 . .
    N N2 0.7069(2) 0.42982(11) 0.10809(13) 0.0390(5) Uani d . 1 . .
    C C1 0.5091(3) 0.21858(13) 0.15178(15) 0.0329(5) Uani d . 1 . .
    C C2 0.5058(3) 0.16342(13) 0.24143(16) 0.0354(5) Uani d . 1 . .
    C C3 0.4396(3) 0.08035(14) 0.22852(16) 0.0391(5) Uani d . 1 . .
    H H3 0.4436 0.0439 0.2887 0.047 Uiso calc R 1 . .
    C C4 0.3674(3) 0.05154(14) 0.12604(17) 0.0421(6) Uani d . 1 . .
    C C5 0.3657(3) 0.10522(15) 0.03614(17) 0.0527(7) Uani d . 1 . .
    H H5 0.3168 0.0857 -0.0331 0.063 Uiso calc R 1 . .
    C C6 0.4356(3) 0.18663(14) 0.04918(16) 0.0451(6) Uani d . 1 . .
    H H6 0.4342 0.2218 -0.0119 0.054 Uiso calc R 1 . .
    C C7 0.5915(3) 0.30376(13) 0.17057(16) 0.0368(5) Uani d . 1 . .
    C C8 0.7456(3) 0.47279(13) 0.02779(17) 0.0386(5) Uani d . 1 . .
    H H8 0.7160 0.4520 -0.0432 0.046 Uiso calc R 1 . .
    C C9 0.8368(3) 0.55503(13) 0.04948(16) 0.0365(5) Uani d . 1 . .
    C C10 0.8507(3) 0.61312(14) -0.03424(16) 0.0405(5) Uani d . 1 . .
    C C11 0.9361(3) 0.69144(14) -0.01112(19) 0.0463(6) Uani d . 1 . .
    H H11 0.9448 0.7304 -0.0672 0.056 Uiso calc R 1 . .
    C C12 1.0081(3) 0.71168(15) 0.09455(18) 0.0468(6) Uani d . 1 . .
    H H12 1.0627 0.7651 0.1097 0.056 Uiso calc R 1 . .
    C C13 1.0003(3) 0.65342(14) 0.17882(17) 0.0405(5) Uani d . 1 . .
    C C14 0.9151(3) 0.57596(14) 0.15574(17) 0.0380(5) Uani d . 1 . .
    H H14 0.9094 0.5366 0.2119 0.046 Uiso calc R 1 . .
    C C15 1.1064(3) 0.61377(16) 0.36363(18) 0.0576(7) Uani d . 1 . .
    H H15A 0.9970 0.5938 0.3785 0.086 Uiso calc R 1 . .
    H H15B 1.1726 0.6377 0.4290 0.086 Uiso calc R 1 . .
    H H15C 1.1680 0.5658 0.3390 0.086 Uiso calc R 1 . .
    C C16 0.8212(4) 0.63418(17) -0.22690(18) 0.0649(8) Uani d . 1 . .
    H H16A 0.7839 0.6936 -0.2260 0.097 Uiso calc R 1 . .
    H H16B 0.7679 0.6070 -0.2938 0.097 Uiso calc R 1 . .
    H H16C 0.9445 0.6324 -0.2216 0.097 Uiso calc R 1 . .
loop_
    _atom_site_aniso_label
    _atom_site_aniso_U_11
    _atom_site_aniso_U_22
    _atom_site_aniso_U_33
    _atom_site_aniso_U_12
    _atom_site_aniso_U_13
    _atom_site_aniso_U_23
    O1 0.0799(12) 0.0477(11) 0.0280(8) -0.0122(9) 0.0054(8) 0.0022(7)
    O2 0.0909(13) 0.0381(10) 0.0523(10) -0.0194(9) -0.0042(10) 0.0057(8)
    O3 0.0727(11) 0.0384(9) 0.0312(8) -0.0072(8) 0.0064(7) -0.0044(7)
    O4 0.0792(12) 0.0540(11) 0.0359(9) -0.0129(9) 0.0045(8) 0.0054(7)
    O5 0.0636(11) 0.0464(10) 0.0445(9) -0.0064(8) -0.0026(8) -0.0036(8)
    N1 0.0569(12) 0.0289(10) 0.0321(10) -0.0078(9) 0.0098(8) -0.0038(8)
    N2 0.0502(11) 0.0294(10) 0.0384(10) -0.0049(8) 0.0101(9) -0.0028(8)
    C1 0.0414(12) 0.0287(12) 0.0293(11) 0.0003(9) 0.0075(9) 0.0018(9)
    C2 0.0394(12) 0.0395(13) 0.0283(11) 0.0013(10) 0.0082(9) 0.0015(10)
    C3 0.0469(13) 0.0365(13) 0.0343(12) -0.0012(10) 0.0078(10) 0.0097(10)
    C4 0.0487(14) 0.0327(13) 0.0440(13) -0.0046(10) 0.0058(11) 0.0039(10)
    C5 0.0797(18) 0.0412(14) 0.0332(13) -0.0130(13) -0.0014(12) 0.0002(11)
    C6 0.0657(16) 0.0386(13) 0.0300(12) -0.0073(11) 0.0052(11) 0.0064(10)
    C7 0.0451(13) 0.0342(12) 0.0315(12) 0.0049(10) 0.0080(10) 0.0016(10)
    C8 0.0487(14) 0.0341(13) 0.0333(12) -0.0013(10) 0.0076(10) -0.0035(10)
    C9 0.0415(13) 0.0312(12) 0.0378(12) 0.0006(10) 0.0095(10) 0.0001(10)
    C10 0.0467(14) 0.0383(13) 0.0365(12) 0.0003(10) 0.0071(11) 0.0011(10)
    C11 0.0558(15) 0.0357(13) 0.0478(14) -0.0033(11) 0.0099(12) 0.0075(10)
    C12 0.0521(15) 0.0331(13) 0.0550(15) -0.0036(10) 0.0090(12) 0.0000(11)
    C13 0.0420(13) 0.0370(13) 0.0421(13) -0.0014(10) 0.0061(10) -0.0039(10)
    C14 0.0429(13) 0.0329(12) 0.0393(12) 0.0012(10) 0.0098(10) 0.0036(9)
    C15 0.0654(17) 0.0599(17) 0.0439(14) -0.0057(13) -0.0006(13) 0.0041(12)
    C16 0.089(2) 0.0674(19) 0.0395(14) 0.0021(16) 0.0143(14) 0.0098(13)
_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 C2 . 1.355(2) ?
    O1 H1 . 0.8200 ?
    O2 C4 . 1.351(2) ?
    O2 H2 . 0.8200 ?
    O3 C7 . 1.251(2) ?
    O4 C10 . 1.367(2) ?
    O4 C16 . 1.424(3) ?
    O5 C13 . 1.375(2) ?
    O5 C15 . 1.421(3) ?
    N1 C7 . 1.348(2) ?
    N1 N2 . 1.376(2) ?
    N1 H1A . 0.8600 ?
    N2 C8 . 1.275(2) ?
    C1 C6 . 1.396(3) ?
    C1 C2 . 1.403(3) ?
    C1 C7 . 1.461(3) ?
    C2 C3 . 1.377(3) ?
    C3 C4 . 1.376(3) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.387(3) ?
    C5 C6 . 1.364(3) ?
    C5 H5 . 0.9300 ?
    C6 H6 . 0.9300 ?
    C8 C9 . 1.455(3) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.389(3) ?
    C9 C14 . 1.396(3) ?
    C10 C11 . 1.384(3) ?
    C11 C12 . 1.374(3) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.387(3) ?
    C12 H12 . 0.9300 ?
    C13 C14 . 1.371(3) ?
    C14 H14 . 0.9300 ?
    C15 H15A . 0.9600 ?
    C15 H15B . 0.9600 ?
    C15 H15C . 0.9600 ?
    C16 H16A . 0.9600 ?
    C16 H16B . 0.9600 ?
    C16 H16C . 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
    C2 O1 H1 . . 109.5 ?
    C4 O2 H2 . . 109.5 ?
    C10 O4 C16 . . 117.56(18) ?
    C13 O5 C15 . . 117.08(17) ?
    C7 N1 N2 . . 117.31(17) ?
    C7 N1 H1A . . 121.3 ?
    N2 N1 H1A . . 121.3 ?
    C8 N2 N1 . . 117.29(17) ?
    C6 C1 C2 . . 116.88(19) ?
    C6 C1 C7 . . 124.33(18) ?
    C2 C1 C7 . . 118.77(18) ?
    O1 C2 C3 . . 117.07(18) ?
    O1 C2 C1 . . 121.30(19) ?
    C3 C2 C1 . . 121.64(19) ?
    C4 C3 C2 . . 119.61(19) ?
    C4 C3 H3 . . 120.2 ?
    C2 C3 H3 . . 120.2 ?
    O2 C4 C3 . . 122.76(19) ?
    O2 C4 C5 . . 117.22(19) ?
    C3 C4 C5 . . 120.0(2) ?
    C6 C5 C4 . . 120.1(2) ?
    C6 C5 H5 . . 120.0 ?
    C4 C5 H5 . . 120.0 ?
    C5 C6 C1 . . 121.75(19) ?
    C5 C6 H6 . . 119.1 ?
    C1 C6 H6 . . 119.1 ?
    O3 C7 N1 . . 119.56(19) ?
    O3 C7 C1 . . 120.54(18) ?
    N1 C7 C1 . . 119.89(18) ?
    N2 C8 C9 . . 118.67(19) ?
    N2 C8 H8 . . 120.7 ?
    C9 C8 H8 . . 120.7 ?
    C10 C9 C14 . . 118.8(2) ?
    C10 C9 C8 . . 121.21(19) ?
    C14 C9 C8 . . 119.95(19) ?
    O4 C10 C11 . . 123.68(19) ?
    O4 C10 C9 . . 116.29(19) ?
    C11 C10 C9 . . 120.0(2) ?
    C12 C11 C10 . . 120.1(2) ?
    C12 C11 H11 . . 119.9 ?
    C10 C11 H11 . . 119.9 ?
    C11 C12 C13 . . 120.8(2) ?
    C11 C12 H12 . . 119.6 ?
    C13 C12 H12 . . 119.6 ?
    C14 C13 O5 . . 124.6(2) ?
    C14 C13 C12 . . 119.0(2) ?
    O5 C13 C12 . . 116.4(2) ?
    C13 C14 C9 . . 121.2(2) ?
    C13 C14 H14 . . 119.4 ?
    C9 C14 H14 . . 119.4 ?
    O5 C15 H15A . . 109.5 ?
    O5 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    O5 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    O4 C16 H16A . . 109.5 ?
    O4 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    O4 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 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
    C7 N1 N2 C8 . . . . 176.80(19) ?
    C6 C1 C2 O1 . . . . -176.99(19) ?
    C7 C1 C2 O1 . . . . 4.5(3) ?
    C6 C1 C2 C3 . . . . 2.6(3) ?
    C7 C1 C2 C3 . . . . -175.98(19) ?
    O1 C2 C3 C4 . . . . 176.54(19) ?
    C1 C2 C3 C4 . . . . -3.0(3) ?
    C2 C3 C4 O2 . . . . -176.9(2) ?
    C2 C3 C4 C5 . . . . 1.7(3) ?
    O2 C4 C5 C6 . . . . 178.7(2) ?
    C3 C4 C5 C6 . . . . 0.0(4) ?
    C4 C5 C6 C1 . . . . -0.4(4) ?
    C2 C1 C6 C5 . . . . -0.8(3) ?
    C7 C1 C6 C5 . . . . 177.6(2) ?
    N2 N1 C7 O3 . . . . 0.6(3) ?
    N2 N1 C7 C1 . . . . -178.22(17) ?
    C6 C1 C7 O3 . . . . 170.6(2) ?
    C2 C1 C7 O3 . . . . -11.0(3) ?
    C6 C1 C7 N1 . . . . -10.6(3) ?
    C2 C1 C7 N1 . . . . 167.86(19) ?
    N1 N2 C8 C9 . . . . -178.34(17) ?
    N2 C8 C9 C10 . . . . -166.4(2) ?
    N2 C8 C9 C14 . . . . 14.8(3) ?
    C16 O4 C10 C11 . . . . 17.6(3) ?
    C16 O4 C10 C9 . . . . -163.9(2) ?
    C14 C9 C10 O4 . . . . 179.36(18) ?
    C8 C9 C10 O4 . . . . 0.6(3) ?
    C14 C9 C10 C11 . . . . -2.1(3) ?
    C8 C9 C10 C11 . . . . 179.09(19) ?
    O4 C10 C11 C12 . . . . 178.8(2) ?
    C9 C10 C11 C12 . . . . 0.4(3) ?
    C10 C11 C12 C13 . . . . 1.7(3) ?
    C15 O5 C13 C14 . . . . 14.2(3) ?
    C15 O5 C13 C12 . . . . -166.4(2) ?
    C11 C12 C13 C14 . . . . -1.9(3) ?
    C11 C12 C13 O5 . . . . 178.70(19) ?
    O5 C13 C14 C9 . . . . 179.43(19) ?
    C12 C13 C14 C9 . . . . 0.0(3) ?
    C10 C9 C14 C13 . . . . 1.9(3) ?
    C8 C9 C14 C13 . . . . -179.3(2) ?
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
    O1 H1 O3 . 0.82 1.76 2.495(2) 148
    O2 H2 O3 2_645 0.82 1.92 2.664(2) 151
    N1 H1A O1 4_565 0.86 2.17 3.012(2) 166
