#------------------------------------------------------------------------------
#$Date: 2021-08-28 05:08:32 +0300 (Sat, 28 Aug 2021) $
#$Revision: 268277 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/24/39/2243907.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2243907
loop_
_publ_author_name
'Shikhaliyev, Namiq Q.'
'Atioğlu, Zeliha'
'Akkurt, Mehmet'
'Qacar, Ayten M.'
'Askerov, Rizvan K.'
'Bhattarai, Ajaya'
_publ_section_title
;
 Crystal structure and Hirshfeld surface analysis of
 (E)-1-[2,2-dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene
;
_journal_coeditor_code           ZN2009
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              965
_journal_page_last               970
_journal_paper_doi               10.1107/S2056989021008756
_journal_volume                  77
_journal_year                    2021
_chemical_formula_iupac          'C16 H14 Cl2 N2 O'
_chemical_formula_moiety         'C16 H14 Cl2 N2 O'
_chemical_formula_sum            'C16 H14 Cl2 N2 O'
_chemical_formula_weight         321.19
_chemical_name_systematic
(E)-1-[2,2-Dichloro-1-(4-methylphenyl)ethenyl]-2-(4-methoxyphenyl)diazene
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 99.173(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5366(3)
_cell_length_b                   17.9208(8)
_cell_length_c                   16.2085(8)
_cell_measurement_reflns_used    3046
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.26
_cell_measurement_theta_min      2.61
_cell_volume                     1587.65(14)
_computing_cell_refinement
;
SAINT (Bruker, 2007)
;
_computing_data_collection
;
APEX2 (Bruker, 2007)
;
_computing_data_reduction
;
SAINT (Bruker, 2007)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
PLATON (Spek, 2020)
;
_computing_structure_refinement
;
SHELXL2016/6 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2016/6 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_unetI/netI     0.0667
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            19301
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.349
_diffrn_reflns_theta_min         1.706
_exptl_absorpt_coefficient_mu    0.408
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.6752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al.,  2015)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.344
_exptl_crystal_description       prism
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.097
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.316
_refine_ls_abs_structure_details
;
 Refined as an inversion twin
;
_refine_ls_abs_structure_Flack   0.11(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     288
_refine_ls_number_reflns         6444
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.1113
_refine_ls_R_factor_gt           0.0594
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0481P)²+0.5767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1202
_refine_ls_wR_factor_ref         0.1449
_reflns_number_gt                3820
_reflns_number_total             6444
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            zn2009sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2243907
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.908
_shelx_estimated_absorpt_t_max   0.961
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'
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_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl Cl1 -0.2542(4) 0.43617(11) 0.64439(13) 0.0796(7) Uani d 1 . .
Cl Cl2 -0.4487(3) 0.28816(11) 0.61549(11) 0.0712(6) Uani d 1 . .
O O1 0.6974(9) 0.6350(3) 0.3727(3) 0.0697(14) Uani d 1 . .
N N1 -0.0135(10) 0.4111(3) 0.5003(4) 0.0535(14) Uani d 1 . .
N N2 0.0904(10) 0.4034(3) 0.4371(3) 0.0489(13) Uani d 1 . .
C C1 -0.2741(12) 0.3575(4) 0.5831(4) 0.0521(16) Uani d 1 . .
C C2 -0.1609(11) 0.3501(4) 0.5159(4) 0.0488(16) Uani d 1 . .
C C3 0.2407(11) 0.4641(3) 0.4235(4) 0.0467(15) Uani d 1 . .
C C4 0.2717(12) 0.5288(4) 0.4712(4) 0.0562(18) Uani d 1 . .
H H4A 0.188500 0.534413 0.516384 0.067 Uiso calc 1 . .
C C5 0.4230(14) 0.5841(4) 0.4525(4) 0.0620(19) Uani d 1 . .
H H5A 0.441835 0.627135 0.484996 0.074 Uiso calc 1 . .
C C6 0.5504(12) 0.5769(3) 0.3849(4) 0.0489(16) Uani d 1 . .
C C7 0.5196(12) 0.5138(4) 0.3367(4) 0.0530(17) Uani d 1 . .
H H7A 0.602750 0.508512 0.291554 0.064 Uiso calc 1 . .
C C8 0.3636(12) 0.4577(4) 0.3556(4) 0.0527(17) Uani d 1 . .
H H8A 0.341397 0.415233 0.322199 0.063 Uiso calc 1 . .
C C9 0.8362(14) 0.6303(4) 0.3075(5) 0.075(2) Uani d 1 . .
H H9A 0.958880 0.668681 0.314241 0.113 Uiso calc 1 . .
H H9B 0.730904 0.636837 0.254871 0.113 Uiso calc 1 . .
H H9C 0.913688 0.582341 0.308698 0.113 Uiso calc 1 . .
C C10 -0.1948(11) 0.2833(3) 0.4611(4) 0.0434(14) Uani d 1 . .
C C11 -0.0071(12) 0.2325(4) 0.4599(5) 0.064(2) Uani d 1 . .
H H11A 0.141146 0.239262 0.495082 0.076 Uiso calc 1 . .
C C12 -0.0390(14) 0.1719(4) 0.4065(5) 0.067(2) Uani d 1 . .
H H12A 0.087072 0.137412 0.407601 0.080 Uiso calc 1 . .
C C13 -0.2533(14) 0.1614(4) 0.3519(4) 0.0596(19) Uani d 1 . .
C C14 -0.4408(13) 0.2110(4) 0.3547(4) 0.0577(18) Uani d 1 . .
H H14A -0.589706 0.203698 0.320052 0.069 Uiso calc 1 . .
C C15 -0.4119(11) 0.2715(3) 0.4082(4) 0.0464(15) Uani d 1 . .
H H15A -0.540900 0.304650 0.408564 0.056 Uiso calc 1 . .
C C16 -0.2854(17) 0.0945(5) 0.2927(5) 0.091(3) Uani d 1 . .
H H16A -0.140574 0.064261 0.302099 0.136 Uiso calc 1 . .
H H16B -0.312419 0.111859 0.235935 0.136 Uiso calc 1 . .
H H16C -0.423307 0.065509 0.302905 0.136 Uiso calc 1 . .
Cl Cl3 0.7604(5) 0.70082(12) -0.12906(13) 0.0884(8) Uani d 1 . .
Cl Cl4 0.9416(4) 0.55116(12) -0.10328(12) 0.0782(7) Uani d 1 . .
O O2 -0.2060(9) 0.9018(3) 0.1289(3) 0.0741(15) Uani d 1 . .
N N3 0.5200(11) 0.6762(3) 0.0147(3) 0.0547(14) Uani d 1 . .
N N4 0.4238(10) 0.6706(3) 0.0789(3) 0.0548(14) Uani d 1 . .
C C17 0.7780(13) 0.6217(4) -0.0682(4) 0.0569(18) Uani d 1 . .
C C18 0.6653(12) 0.6147(4) -0.0012(4) 0.0514(17) Uani d 1 . .
C C19 0.2694(8) 0.7321(2) 0.0907(3) 0.0629(6) Uani d 1 . .
C C20 0.1554(8) 0.7291(2) 0.1610(3) 0.0629(6) Uani d 1 . .
H H20A 0.186090 0.689285 0.198089 0.076 Uiso calc 1 . .
C C21 -0.0044(8) 0.7855(3) 0.1760(2) 0.0629(6) Uani d 1 . .
H H21A -0.080656 0.783412 0.223126 0.076 Uiso calc 1 . .
C C22 -0.0502(8) 0.8449(2) 0.1207(3) 0.0629(6) Uani d 1 . .
C C23 0.0638(9) 0.8479(2) 0.0503(3) 0.0629(6) Uani d 1 . .
H H23A 0.033133 0.887707 0.013237 0.076 Uiso calc 1 . .
C C24 0.2236(8) 0.7915(2) 0.0353(2) 0.0629(6) Uani d 1 . .
H H24A 0.299880 0.793580 -0.011802 0.076 Uiso calc 1 . .
C C25 -0.3465(13) 0.9007(4) 0.1949(4) 0.0629(6) Uani d 1 . .
H H25A -0.457475 0.942189 0.189000 0.094 Uiso calc 1 . .
H H25B -0.239456 0.904082 0.247500 0.094 Uiso calc 1 . .
H H25C -0.437714 0.854952 0.192725 0.094 Uiso calc 1 . .
C C26 0.6954(9) 0.5466(2) 0.0525(3) 0.0629(6) Uani d 1 . .
C C27 0.5076(7) 0.4946(2) 0.0485(3) 0.0629(6) Uani d 1 . .
H H27A 0.361256 0.502241 0.012536 0.076 Uiso calc 1 . .
C C28 0.5386(7) 0.4311(2) 0.0983(3) 0.0629(6) Uani d 1 . .
H H28A 0.412980 0.396257 0.095678 0.076 Uiso calc 1 . .
C C29 0.7573(8) 0.4196(2) 0.1521(3) 0.0629(6) Uani d 1 . .
C C30 0.9451(7) 0.4716(3) 0.1560(3) 0.0629(6) Uani d 1 . .
H H30A 1.091434 0.463884 0.192023 0.076 Uiso calc 1 . .
C C31 0.9141(7) 0.5351(2) 0.1062(3) 0.0629(6) Uani d 1 . .
H H31A 1.039714 0.569868 0.108882 0.076 Uiso calc 1 . .
C C32 0.7922(16) 0.3491(4) 0.2055(5) 0.086(3) Uani d 1 . .
H H32A 0.926377 0.320655 0.190966 0.129 Uiso calc 1 . .
H H32B 0.645678 0.319578 0.195512 0.129 Uiso calc 1 . .
H H32C 0.826528 0.362584 0.263450 0.129 Uiso calc 1 . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C6 O1 C9 . . 118.5(6) ?
N2 N1 C2 . . 114.4(5) ?
N1 N2 C3 . . 113.6(5) ?
C2 C1 Cl2 . . 122.4(5) ?
C2 C1 Cl1 . . 123.6(5) ?
Cl2 C1 Cl1 . . 114.0(4) ?
C1 C2 N1 . . 115.2(6) ?
C1 C2 C10 . . 122.2(6) ?
N1 C2 C10 . . 122.6(5) ?
C8 C3 C4 . . 118.6(6) ?
C8 C3 N2 . . 115.9(6) ?
C4 C3 N2 . . 125.5(5) ?
C5 C4 C3 . . 120.5(6) ?
C5 C4 H4A . . 119.7 ?
C3 C4 H4A . . 119.7 ?
C4 C5 C6 . . 120.8(6) ?
C4 C5 H5A . . 119.6 ?
C6 C5 H5A . . 119.6 ?
O1 C6 C7 . . 125.1(6) ?
O1 C6 C5 . . 115.6(6) ?
C7 C6 C5 . . 119.3(6) ?
C6 C7 C8 . . 119.8(6) ?
C6 C7 H7A . . 120.1 ?
C8 C7 H7A . . 120.1 ?
C3 C8 C7 . . 120.9(6) ?
C3 C8 H8A . . 119.5 ?
C7 C8 H8A . . 119.5 ?
O1 C9 H9A . . 109.5 ?
O1 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
O1 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
C15 C10 C11 . . 118.2(6) ?
C15 C10 C2 . . 120.7(6) ?
C11 C10 C2 . . 121.0(6) ?
C12 C11 C10 . . 120.3(7) ?
C12 C11 H11A . . 119.9 ?
C10 C11 H11A . . 119.9 ?
C13 C12 C11 . . 121.4(7) ?
C13 C12 H12A . . 119.3 ?
C11 C12 H12A . . 119.3 ?
C14 C13 C12 . . 118.0(7) ?
C14 C13 C16 . . 121.0(7) ?
C12 C13 C16 . . 120.9(7) ?
C13 C14 C15 . . 121.1(7) ?
C13 C14 H14A . . 119.5 ?
C15 C14 H14A . . 119.5 ?
C10 C15 C14 . . 120.9(6) ?
C10 C15 H15A . . 119.6 ?
C14 C15 H15A . . 119.6 ?
C13 C16 H16A . . 109.5 ?
C13 C16 H16B . . 109.5 ?
H16A C16 H16B . . 109.5 ?
C13 C16 H16C . . 109.5 ?
H16A C16 H16C . . 109.5 ?
H16B C16 H16C . . 109.5 ?
C22 O2 C25 . . 119.8(5) ?
N4 N3 C18 . . 114.9(5) ?
N3 N4 C19 . . 113.2(5) ?
C18 C17 Cl4 . . 122.7(6) ?
C18 C17 Cl3 . . 123.4(6) ?
Cl4 C17 Cl3 . . 113.9(4) ?
C17 C18 N3 . . 115.2(6) ?
C17 C18 C26 . . 121.7(6) ?
N3 C18 C26 . . 123.1(5) ?
C20 C19 C24 . . 120.0 ?
C20 C19 N4 . . 116.1(4) ?
C24 C19 N4 . . 123.9(4) ?
C19 C20 C21 . . 120.0 ?
C19 C20 H20A . . 120.0 ?
C21 C20 H20A . . 120.0 ?
C22 C21 C20 . . 120.0 ?
C22 C21 H21A . . 120.0 ?
C20 C21 H21A . . 120.0 ?
O2 C22 C21 . . 124.5(4) ?
O2 C22 C23 . . 115.5(4) ?
C21 C22 C23 . . 120.0 ?
C24 C23 C22 . . 120.0 ?
C24 C23 H23A . . 120.0 ?
C22 C23 H23A . . 120.0 ?
C23 C24 C19 . . 120.0 ?
C23 C24 H24A . . 120.0 ?
C19 C24 H24A . . 120.0 ?
O2 C25 H25A . . 109.5 ?
O2 C25 H25B . . 109.5 ?
H25A C25 H25B . . 109.5 ?
O2 C25 H25C . . 109.5 ?
H25A C25 H25C . . 109.5 ?
H25B C25 H25C . . 109.5 ?
C27 C26 C31 . . 120.0 ?
C27 C26 C18 . . 120.5(4) ?
C31 C26 C18 . . 119.5(4) ?
C28 C27 C26 . . 120.0 ?
C28 C27 H27A . . 120.0 ?
C26 C27 H27A . . 120.0 ?
C27 C28 C29 . . 120.0 ?
C27 C28 H28A . . 120.0 ?
C29 C28 H28A . . 120.0 ?
C30 C29 C28 . . 120.0 ?
C30 C29 C32 . . 120.2(5) ?
C28 C29 C32 . . 119.8(5) ?
C29 C30 C31 . . 120.0 ?
C29 C30 H30A . . 120.0 ?
C31 C30 H30A . . 120.0 ?
C30 C31 C26 . . 120.0 ?
C30 C31 H31A . . 120.0 ?
C26 C31 H31A . . 120.0 ?
C29 C32 H32A . . 109.5 ?
C29 C32 H32B . . 109.5 ?
H32A C32 H32B . . 109.5 ?
C29 C32 H32C . . 109.5 ?
H32A C32 H32C . . 109.5 ?
H32B C32 H32C . . 109.5 ?
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
Cl1 C1 . 1.717(7) ?
Cl2 C1 . 1.708(7) ?
O1 C6 . 1.355(7) ?
O1 C9 . 1.406(8) ?
N1 N2 . 1.260(7) ?
N1 C2 . 1.411(8) ?
N2 C3 . 1.408(7) ?
C1 C2 . 1.347(9) ?
C2 C10 . 1.486(8) ?
C3 C8 . 1.388(8) ?
C3 C4 . 1.390(8) ?
C4 C5 . 1.363(9) ?
C4 H4A . 0.9300 ?
C5 C6 . 1.401(9) ?
C5 H5A . 0.9300 ?
C6 C7 . 1.369(8) ?
C7 C8 . 1.391(8) ?
C7 H7A . 0.9300 ?
C8 H8A . 0.9300 ?
C9 H9A . 0.9600 ?
C9 H9B . 0.9600 ?
C9 H9C . 0.9600 ?
C10 C15 . 1.376(8) ?
C10 C11 . 1.384(8) ?
C11 C12 . 1.383(9) ?
C11 H11A . 0.9300 ?
C12 C13 . 1.375(10) ?
C12 H12A . 0.9300 ?
C13 C14 . 1.373(9) ?
C13 C16 . 1.527(10) ?
C14 C15 . 1.382(8) ?
C14 H14A . 0.9300 ?
C15 H15A . 0.9300 ?
C16 H16A . 0.9600 ?
C16 H16B . 0.9600 ?
C16 H16C . 0.9600 ?
Cl3 C17 . 1.721(7) ?
Cl4 C17 . 1.704(7) ?
O2 C22 . 1.356(5) ?
O2 C25 . 1.419(8) ?
N3 N4 . 1.247(7) ?
N3 C18 . 1.413(8) ?
N4 C19 . 1.426(6) ?
C17 C18 . 1.342(9) ?
C18 C26 . 1.493(7) ?
C19 C20 . 1.3900 ?
C19 C24 . 1.3900 ?
C20 C21 . 1.3900 ?
C20 H20A . 0.9300 ?
C21 C22 . 1.3900 ?
C21 H21A . 0.9300 ?
C22 C23 . 1.3900 ?
C23 C24 . 1.3900 ?
C23 H23A . 0.9300 ?
C24 H24A . 0.9300 ?
C25 H25A . 0.9600 ?
C25 H25B . 0.9600 ?
C25 H25C . 0.9600 ?
C26 C27 . 1.3900 ?
C26 C31 . 1.3900 ?
C27 C28 . 1.3900 ?
C27 H27A . 0.9300 ?
C28 C29 . 1.3900 ?
C28 H28A . 0.9300 ?
C29 C30 . 1.3900 ?
C29 C32 . 1.526(8) ?
C30 C31 . 1.3900 ?
C30 H30A . 0.9300 ?
C31 H31A . 0.9300 ?
C32 H32A . 0.9600 ?
C32 H32B . 0.9600 ?
C32 H32C . 0.9600 ?
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
C5 H5A Cg2 2_556 0.93 2.84 3.645(8) 146 yes
C23 H23A Cg4 2_655 0.93 3.00 3.775(5) 142 yes
C25 H25C Cg3 1_455 0.96 2.93 3.717(7) 140 yes
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
C2 N1 N2 C3 . . . . -178.8(5) ?
Cl2 C1 C2 N1 . . . . -176.8(5) ?
Cl1 C1 C2 N1 . . . . 2.5(9) ?
Cl2 C1 C2 C10 . . . . 4.8(9) ?
Cl1 C1 C2 C10 . . . . -175.9(5) ?
N2 N1 C2 C1 . . . . -179.8(6) ?
N2 N1 C2 C10 . . . . -1.4(9) ?
N1 N2 C3 C8 . . . . 178.7(6) ?
N1 N2 C3 C4 . . . . -2.2(9) ?
C8 C3 C4 C5 . . . . -1.1(11) ?
N2 C3 C4 C5 . . . . 179.7(7) ?
C3 C4 C5 C6 . . . . -0.1(11) ?
C9 O1 C6 C7 . . . . -2.0(10) ?
C9 O1 C6 C5 . . . . 178.1(6) ?
C4 C5 C6 O1 . . . . -179.3(7) ?
C4 C5 C6 C7 . . . . 0.8(11) ?
O1 C6 C7 C8 . . . . 179.9(6) ?
C5 C6 C7 C8 . . . . -0.3(10) ?
C4 C3 C8 C7 . . . . 1.6(10) ?
N2 C3 C8 C7 . . . . -179.2(6) ?
C6 C7 C8 C3 . . . . -0.9(10) ?
C1 C2 C10 C15 . . . . 71.9(8) ?
N1 C2 C10 C15 . . . . -106.4(7) ?
C1 C2 C10 C11 . . . . -110.1(7) ?
N1 C2 C10 C11 . . . . 71.6(8) ?
C15 C10 C11 C12 . . . . 0.2(10) ?
C2 C10 C11 C12 . . . . -177.9(6) ?
C10 C11 C12 C13 . . . . 1.9(11) ?
C11 C12 C13 C14 . . . . -3.4(11) ?
C11 C12 C13 C16 . . . . 179.4(7) ?
C12 C13 C14 C15 . . . . 2.8(10) ?
C16 C13 C14 C15 . . . . 180.0(6) ?
C11 C10 C15 C14 . . . . -0.7(9) ?
C2 C10 C15 C14 . . . . 177.4(5) ?
C13 C14 C15 C10 . . . . -0.8(10) ?
C18 N3 N4 C19 . . . . -177.2(5) ?
Cl4 C17 C18 N3 . . . . -174.6(5) ?
Cl3 C17 C18 N3 . . . . 2.6(9) ?
Cl4 C17 C18 C26 . . . . 6.0(10) ?
Cl3 C17 C18 C26 . . . . -176.8(5) ?
N4 N3 C18 C17 . . . . -177.2(6) ?
N4 N3 C18 C26 . . . . 2.2(9) ?
N3 N4 C19 C20 . . . . 179.7(4) ?
N3 N4 C19 C24 . . . . 1.8(7) ?
C24 C19 C20 C21 . . . . 0.0 ?
N4 C19 C20 C21 . . . . -178.0(5) ?
C19 C20 C21 C22 . . . . 0.0 ?
C25 O2 C22 C21 . . . . -4.0(8) ?
C25 O2 C22 C23 . . . . 174.8(5) ?
C20 C21 C22 O2 . . . . 178.8(5) ?
C20 C21 C22 C23 . . . . 0.0 ?
O2 C22 C23 C24 . . . . -178.9(5) ?
C21 C22 C23 C24 . . . . 0.0 ?
C22 C23 C24 C19 . . . . 0.0 ?
C20 C19 C24 C23 . . . . 0.0 ?
N4 C19 C24 C23 . . . . 177.8(5) ?
C17 C18 C26 C27 . . . . -105.8(6) ?
N3 C18 C26 C27 . . . . 74.8(7) ?
C17 C18 C26 C31 . . . . 73.7(7) ?
N3 C18 C26 C31 . . . . -105.7(6) ?
C31 C26 C27 C28 . . . . 0.0 ?
C18 C26 C27 C28 . . . . 179.5(5) ?
C26 C27 C28 C29 . . . . 0.0 ?
C27 C28 C29 C30 . . . . 0.0 ?
C27 C28 C29 C32 . . . . -178.9(5) ?
C28 C29 C30 C31 . . . . 0.0 ?
C32 C29 C30 C31 . . . . 178.9(5) ?
C29 C30 C31 C26 . . . . 0.0 ?
C27 C26 C31 C30 . . . . 0.0 ?
C18 C26 C31 C30 . . . . -179.5(5) ?

_cod_database_fobs_code 2243907
