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#$Date: 2025-04-22 19:48:50 +0300 (Tue, 22 Apr 2025) $
#$Revision: 299347 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/72/8107255.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_8107255
loop_
_publ_author_name
'Tong, Jian-Ying'
'Sun, Na-Bo'
'Han, Liang'
'Liu, Xing-Hai'
_publ_section_title
;
 Hydrogen bonded dimers in the crystal structure of
 2-chloro-N-(phenylcarbamoyl)nicotinamide, C26H20Cl2N6O4
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              929
_journal_page_last               931
_journal_paper_doi               10.1515/ncrs-2022-0270
_journal_volume                  237
_journal_year                    2022
_chemical_formula_moiety         'C13 H10 Cl N3 O2'
_chemical_formula_sum            'C13 H10 Cl N3 O2'
_chemical_formula_weight         275.69
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   7.7316(6)
_cell_length_b                   24.8021(19)
_cell_length_c                   26.074(2)
_cell_measurement_reflns_used    9964
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.74
_cell_measurement_theta_min      2.27
_cell_volume                     4999.9(7)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1209
_diffrn_reflns_av_unetI/netI     0.0527
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            95911
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.544
_diffrn_reflns_theta_min         2.862
_exptl_absorpt_coefficient_mu    0.306
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1804 before and 0.0986 after correction. The Ratio of minimum to maximum transmission is 0.7709. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_meas      .
_exptl_crystal_description       plate
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.240
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.073
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         5739
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.1146
_refine_ls_R_factor_gt           0.0674
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0673P)²+2.6401P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1437
_refine_ls_wR_factor_ref         0.1625
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3667
_reflns_number_total             5739
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2022-0270_suppl.cif
_cod_data_source_block           2
_cod_depositor_comments
;

2025-04-22
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C26 H20 Cl2 N6 O4'
_cod_original_formula_weight         551.38
_cod_original_formula_moiety         '2(C13 H10 Cl N3 O2)'
_cod_original_formula_units_Z            8
_cod_database_code               8107255
_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_max   0.936
_shelx_estimated_absorpt_t_min   0.867
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 N2(H2), N3(H3), C1(H1), C2(H2A), C3(H3A), C9(H9), C10(H10), C11(H11),
 C12(H12), C13(H13), N5(H5), N6(H6), C14(H14), C15(H15), C16(H16), C22(H22),
 C23(H23), C24(H24), C25(H25), C26(H26)
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'x+1/2, -y+1/2, -z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'-x-1/2, y-1/2, z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl1 Cl 0.19308(13) 0.49008(3) -0.25012(3) 0.0740(3) Uani 1 1 d . . . . .
O1 O 0.3155(3) 0.48839(7) -0.14194(7) 0.0606(6) Uani 1 1 d . . . . .
O2 O 0.1657(3) 0.40173(7) -0.01569(7) 0.0608(6) Uani 1 1 d . . . . .
N1 N 0.3167(4) 0.39981(12) -0.28105(9) 0.0617(7) Uani 1 1 d . . . . .
N2 N 0.2225(3) 0.41379(8) -0.09979(7) 0.0428(5) Uani 1 1 d . . . . .
H2 H 0.1889 0.3811 -0.1047 0.051 Uiso 1 1 calc R . . . .
N3 N 0.2599(3) 0.48372(8) -0.04193(8) 0.0425(5) Uani 1 1 d . . . . .
H3 H 0.2898 0.5013 -0.0689 0.051 Uiso 1 1 calc R . . . .
C1 C 0.3787(4) 0.34948(14) -0.27533(11) 0.0610(8) Uani 1 1 d . . . . .
H1 H 0.4088 0.3302 -0.3046 0.073 Uiso 1 1 calc R . . . .
C2 C 0.3994(4) 0.32534(12) -0.22898(11) 0.0548(8) Uani 1 1 d . . . . .
H2A H 0.4394 0.2901 -0.2267 0.066 Uiso 1 1 calc R . . . .
C3 C 0.3601(3) 0.35435(10) -0.18552(10) 0.0460(6) Uani 1 1 d . . . . .
H3A H 0.3730 0.3385 -0.1534 0.055 Uiso 1 1 calc R . . . .
C4 C 0.3014(3) 0.40683(10) -0.18934(9) 0.0373(6) Uani 1 1 d . . . . .
C5 C 0.2798(4) 0.42680(11) -0.23897(10) 0.0470(7) Uani 1 1 d . . . . .
C6 C 0.2784(3) 0.44087(10) -0.14247(9) 0.0406(6) Uani 1 1 d . . . . .
C7 C 0.2131(4) 0.43245(10) -0.04920(9) 0.0419(6) Uani 1 1 d . . . . .
C8 C 0.2661(3) 0.51260(9) 0.00480(9) 0.0388(6) Uani 1 1 d . . . . .
C9 C 0.1936(4) 0.49477(11) 0.05044(10) 0.0519(7) Uani 1 1 d . . . . .
H9 H 0.1386 0.4615 0.0522 0.062 Uiso 1 1 calc R . . . .
C10 C 0.2046(4) 0.52757(12) 0.09334(11) 0.0583(8) Uani 1 1 d . . . . .
H10 H 0.1573 0.5157 0.1241 0.070 Uiso 1 1 calc R . . . .
C11 C 0.2826(4) 0.57676(11) 0.09175(11) 0.0554(8) Uani 1 1 d . . . . .
H11 H 0.2868 0.5983 0.1209 0.066 Uiso 1 1 calc R . . . .
C12 C 0.3551(4) 0.59421(11) 0.04670(11) 0.0559(8) Uani 1 1 d . . . . .
H12 H 0.4092 0.6277 0.0453 0.067 Uiso 1 1 calc R . . . .
C13 C 0.3478(4) 0.56224(10) 0.00341(10) 0.0460(7) Uani 1 1 d . . . . .
H13 H 0.3982 0.5741 -0.0269 0.055 Uiso 1 1 calc R . . . .
Cl2 Cl 0.16199(10) 0.22435(3) 0.12346(3) 0.0614(2) Uani 1 1 d . . . . .
O3 O -0.0509(3) 0.22324(7) 0.02733(7) 0.0605(6) Uani 1 1 d . . . . .
O4 O 0.0987(3) 0.30349(7) -0.10350(6) 0.0523(5) Uani 1 1 d . . . . .
N4 N 0.0579(4) 0.31406(11) 0.16181(9) 0.0664(7) Uani 1 1 d . . . . .
N5 N 0.0432(3) 0.29560(8) -0.01890(7) 0.0426(5) Uani 1 1 d . . . . .
H5 H 0.0693 0.3292 -0.0160 0.051 Uiso 1 1 calc R . . . .
N6 N 0.0168(3) 0.22144(8) -0.07201(8) 0.0453(5) Uani 1 1 d . . . . .
H6 H -0.0115 0.2058 -0.0438 0.054 Uiso 1 1 calc R . . . .
C14 C -0.0120(5) 0.36290(15) 0.15962(12) 0.0767(10) Uani 1 1 d . . . . .
H14 H -0.0191 0.3826 0.1899 0.092 Uiso 1 1 calc R . . . .
C15 C -0.0742(5) 0.38623(12) 0.11591(12) 0.0642(9) Uani 1 1 d . . . . .
H15 H -0.1190 0.4210 0.1163 0.077 Uiso 1 1 calc R . . . .
C16 C -0.0687(4) 0.35660(11) 0.07120(11) 0.0513(7) Uani 1 1 d . . . . .
H16 H -0.1101 0.3712 0.0407 0.062 Uiso 1 1 calc R . . . .
C17 C -0.0011(3) 0.30489(10) 0.07205(9) 0.0393(6) Uani 1 1 d . . . . .
C18 C 0.0609(4) 0.28672(11) 0.11880(10) 0.0453(6) Uani 1 1 d . . . . .
C19 C -0.0044(3) 0.27025(10) 0.02540(10) 0.0418(6) Uani 1 1 d . . . . .
C20 C 0.0552(4) 0.27397(10) -0.06836(9) 0.0409(6) Uani 1 1 d . . . . .
C21 C 0.0169(4) 0.18842(10) -0.11617(10) 0.0448(7) Uani 1 1 d . . . . .
C22 C -0.0522(4) 0.13721(10) -0.11018(11) 0.0531(7) Uani 1 1 d . . . . .
H22 H -0.1008 0.1273 -0.0789 0.064 Uiso 1 1 calc R . . . .
C23 C -0.0493(5) 0.10108(12) -0.14993(13) 0.0716(10) Uani 1 1 d . . . . .
H23 H -0.0942 0.0666 -0.1455 0.086 Uiso 1 1 calc R . . . .
C24 C 0.0196(6) 0.11595(13) -0.19595(13) 0.0799(11) Uani 1 1 d . . . . .
H24 H 0.0230 0.0913 -0.2228 0.096 Uiso 1 1 calc R . . . .
C25 C 0.0841(5) 0.16708(13) -0.20291(12) 0.0747(10) Uani 1 1 d . . . . .
H25 H 0.1282 0.1770 -0.2347 0.090 Uiso 1 1 calc R . . . .
C26 C 0.0839(5) 0.20396(11) -0.16286(11) 0.0589(8) Uani 1 1 d . . . . .
H26 H 0.1282 0.2385 -0.1675 0.071 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.1484 0.1585 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C5 N1 C1 117.2(2) . .
C6 N2 H2 115.8 . .
C6 N2 C7 128.3(2) . .
C7 N2 H2 115.8 . .
C7 N3 H3 116.1 . .
C7 N3 C8 127.9(2) . .
C8 N3 H3 116.1 . .
N1 C1 H1 118.3 . .
N1 C1 C2 123.4(3) . .
C2 C1 H1 118.3 . .
C1 C2 H2A 120.8 . .
C1 C2 C3 118.4(3) . .
C3 C2 H2A 120.8 . .
C2 C3 H3A 119.8 . .
C2 C3 C4 120.4(3) . .
C4 C3 H3A 119.8 . .
C3 C4 C5 116.1(2) . .
C3 C4 C6 120.8(2) . .
C5 C4 C6 122.9(2) . .
N1 C5 Cl1 113.9(2) . .
N1 C5 C4 124.5(3) . .
C4 C5 Cl1 121.6(2) . .
O1 C6 N2 122.8(2) . .
O1 C6 C4 122.0(2) . .
N2 C6 C4 115.1(2) . .
O2 C7 N2 119.1(2) . .
O2 C7 N3 125.2(2) . .
N3 C7 N2 115.7(2) . .
C9 C8 N3 124.3(2) . .
C13 C8 N3 116.3(2) . .
C13 C8 C9 119.4(2) . .
C8 C9 H9 120.6 . .
C10 C9 C8 118.7(3) . .
C10 C9 H9 120.6 . .
C9 C10 H10 119.0 . .
C11 C10 C9 121.9(3) . .
C11 C10 H10 119.0 . .
C10 C11 H11 120.3 . .
C10 C11 C12 119.3(3) . .
C12 C11 H11 120.3 . .
C11 C12 H12 119.9 . .
C11 C12 C13 120.2(3) . .
C13 C12 H12 119.9 . .
C8 C13 H13 119.7 . .
C12 C13 C8 120.5(3) . .
C12 C13 H13 119.7 . .
C18 N4 C14 116.3(3) . .
C19 N5 H5 115.8 . .
C19 N5 C20 128.4(2) . .
C20 N5 H5 115.8 . .
C20 N6 H6 115.8 . .
C20 N6 C21 128.4(2) . .
C21 N6 H6 115.8 . .
N4 C14 H14 117.8 . .
N4 C14 C15 124.5(3) . .
C15 C14 H14 117.8 . .
C14 C15 H15 121.0 . .
C14 C15 C16 118.0(3) . .
C16 C15 H15 121.0 . .
C15 C16 H16 120.3 . .
C15 C16 C17 119.5(3) . .
C17 C16 H16 120.3 . .
C16 C17 C19 121.0(2) . .
C18 C17 C16 116.5(2) . .
C18 C17 C19 122.5(2) . .
N4 C18 Cl2 114.1(2) . .
N4 C18 C17 125.4(3) . .
C17 C18 Cl2 120.5(2) . .
O3 C19 N5 123.6(2) . .
O3 C19 C17 121.5(2) . .
N5 C19 C17 114.9(2) . .
O4 C20 N5 118.7(2) . .
O4 C20 N6 126.2(2) . .
N6 C20 N5 115.1(2) . .
C22 C21 N6 116.0(2) . .
C26 C21 N6 123.9(2) . .
C26 C21 C22 120.0(2) . .
C21 C22 H22 119.8 . .
C23 C22 C21 120.5(3) . .
C23 C22 H22 119.8 . .
C22 C23 H23 120.2 . .
C24 C23 C22 119.7(3) . .
C24 C23 H23 120.2 . .
C23 C24 H24 119.8 . .
C23 C24 C25 120.5(3) . .
C25 C24 H24 119.8 . .
C24 C25 H25 119.7 . .
C24 C25 C26 120.5(3) . .
C26 C25 H25 119.7 . .
C21 C26 C25 118.7(3) . .
C21 C26 H26 120.6 . .
C25 C26 H26 120.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cl1 C5 1.731(3) .
O1 C6 1.213(3) .
O2 C7 1.216(3) .
N1 C1 1.345(4) .
N1 C5 1.317(4) .
N2 H2 0.8600 .
N2 C6 1.370(3) .
N2 C7 1.400(3) .
N3 H3 0.8600 .
N3 C7 1.336(3) .
N3 C8 1.414(3) .
C1 H1 0.9300 .
C1 C2 1.358(4) .
C2 H2A 0.9300 .
C2 C3 1.377(4) .
C3 H3A 0.9300 .
C3 C4 1.382(3) .
C4 C5 1.396(3) .
C4 C6 1.496(3) .
C8 C9 1.388(4) .
C8 C13 1.384(4) .
C9 H9 0.9300 .
C9 C10 1.386(4) .
C10 H10 0.9300 .
C10 C11 1.362(4) .
C11 H11 0.9300 .
C11 C12 1.371(4) .
C12 H12 0.9300 .
C12 C13 1.380(4) .
C13 H13 0.9300 .
Cl2 C18 1.737(3) .
O3 C19 1.221(3) .
O4 C20 1.220(3) .
N4 C14 1.328(4) .
N4 C18 1.311(4) .
N5 H5 0.8600 .
N5 C19 1.366(3) .
N5 C20 1.400(3) .
N6 H6 0.8600 .
N6 C20 1.340(3) .
N6 C21 1.413(3) .
C14 H14 0.9300 .
C14 C15 1.366(5) .
C15 H15 0.9300 .
C15 C16 1.379(4) .
C16 H16 0.9300 .
C16 C17 1.385(3) .
C17 C18 1.385(4) .
C17 C19 1.489(4) .
C21 C22 1.387(4) .
C21 C26 1.378(4) .
C22 H22 0.9300 .
C22 C23 1.370(4) .
C23 H23 0.9300 .
C23 C24 1.364(5) .
C24 H24 0.9300 .
C24 C25 1.375(4) .
C25 H25 0.9300 .
C25 C26 1.388(4) .
C26 H26 0.9300 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O4 0.86 2.05 2.900(3) 170.3 .
N3 H3 O1 0.86 1.94 2.645(3) 138.3 .
C9 H9 O2 0.93 2.32 2.889(3) 119.3 .
N5 H5 O2 0.86 1.95 2.799(3) 169.9 .
N6 H6 O3 0.86 1.93 2.643(3) 139.5 .
C26 H26 O4 0.93 2.33 2.916(3) 120.6 .
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
N1 C1 C2 C3 -2.0(5) . . . .
N3 C8 C9 C10 -178.3(3) . . . .
N3 C8 C13 C12 177.7(3) . . . .
C1 N1 C5 Cl1 -177.6(2) . . . .
C1 N1 C5 C4 0.3(4) . . . .
C1 C2 C3 C4 -0.2(4) . . . .
C2 C3 C4 C5 2.2(4) . . . .
C2 C3 C4 C6 -172.7(3) . . . .
C3 C4 C5 Cl1 175.4(2) . . . .
C3 C4 C5 N1 -2.4(4) . . . .
C3 C4 C6 O1 140.9(3) . . . .
C3 C4 C6 N2 -35.4(4) . . . .
C5 N1 C1 C2 1.9(5) . . . .
C5 C4 C6 O1 -33.6(4) . . . .
C5 C4 C6 N2 150.1(3) . . . .
C6 N2 C7 O2 -177.3(3) . . . .
C6 N2 C7 N3 2.2(4) . . . .
C6 C4 C5 Cl1 -9.8(4) . . . .
C6 C4 C5 N1 172.4(3) . . . .
C7 N2 C6 O1 -6.4(4) . . . .
C7 N2 C6 C4 169.9(2) . . . .
C7 N3 C8 C9 -12.4(4) . . . .
C7 N3 C8 C13 168.9(3) . . . .
C8 N3 C7 O2 0.7(5) . . . .
C8 N3 C7 N2 -178.7(2) . . . .
C8 C9 C10 C11 0.7(5) . . . .
C9 C8 C13 C12 -1.0(4) . . . .
C9 C10 C11 C12 -1.0(5) . . . .
C10 C11 C12 C13 0.4(5) . . . .
C11 C12 C13 C8 0.7(5) . . . .
C13 C8 C9 C10 0.3(4) . . . .
N4 C14 C15 C16 1.9(6) . . . .
N6 C21 C22 C23 -176.4(3) . . . .
N6 C21 C26 C25 177.0(3) . . . .
C14 N4 C18 Cl2 177.4(3) . . . .
C14 N4 C18 C17 0.6(5) . . . .
C14 C15 C16 C17 -0.1(5) . . . .
C15 C16 C17 C18 -1.3(4) . . . .
C15 C16 C17 C19 175.6(3) . . . .
C16 C17 C18 Cl2 -175.6(2) . . . .
C16 C17 C18 N4 1.1(4) . . . .
C16 C17 C19 O3 -133.6(3) . . . .
C16 C17 C19 N5 44.6(4) . . . .
C18 N4 C14 C15 -2.1(5) . . . .
C18 C17 C19 O3 43.0(4) . . . .
C18 C17 C19 N5 -138.7(3) . . . .
C19 N5 C20 O4 179.2(3) . . . .
C19 N5 C20 N6 -1.0(4) . . . .
C19 C17 C18 Cl2 7.6(4) . . . .
C19 C17 C18 N4 -175.7(3) . . . .
C20 N5 C19 O3 -2.7(4) . . . .
C20 N5 C19 C17 179.1(2) . . . .
C20 N6 C21 C22 -171.0(3) . . . .
C20 N6 C21 C26 10.5(5) . . . .
C21 N6 C20 O4 -0.2(5) . . . .
C21 N6 C20 N5 180.0(2) . . . .
C21 C22 C23 C24 -1.0(5) . . . .
C22 C21 C26 C25 -1.4(5) . . . .
C22 C23 C24 C25 -0.9(6) . . . .
C23 C24 C25 C26 1.6(6) . . . .
C24 C25 C26 C21 -0.4(6) . . . .
C26 C21 C22 C23 2.2(4) . . . .
