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#$Date: 2024-10-06 11:09:48 +0300 (Sun, 06 Oct 2024) $
#$Revision: 295273 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/67/7716747.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_7716747
loop_
_publ_author_name
'Brahma, Rinki'
'Singh, Abhay Pratap'
'Baruah, Jubaraj Bikash'
_publ_section_title
;
 Synthesis and characterization of cis and trans cobalt(II)
 nalidixate complexes having a
 1-(4-chlorophenyl)-3-(pyridin-4-ylmethyl)urea ligand.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              14678
_journal_page_last               14691
_journal_paper_doi               10.1039/d4dt01401d
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C13 H12 Cl N3 O'
_chemical_formula_sum            'C13 H12 Cl N3 O'
_chemical_formula_weight         261.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yac'
_space_group_name_H-M_alt        'P 1 n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     primary
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2023-07-31 deposited with the CCDC.	2024-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 112.507(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.854(8)
_cell_length_b                   4.578(2)
_cell_length_c                   18.262(9)
_cell_measurement_reflns_used    9700
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.11
_cell_measurement_theta_min      2.41
_cell_volume                     1301.7(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_av_unetI/netI     0.0285
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21434
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.092
_exptl_absorpt_coefficient_mu    0.285
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1518 before and 0.0580 after correction.
The Ratio of minimum to maximum transmission is 0.8810.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_description       Rod
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_exptl_transmission_factor_max   0.7454
_exptl_transmission_factor_min   0.6567
_refine_diff_density_max         0.101
_refine_diff_density_min         -0.193
_refine_diff_density_rms         0.023
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.40(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4565
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0339
_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)+(0.0304P)²+0.1928P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0733
_refine_ls_wR_factor_ref         0.0793
_reflns_Friedel_coverage         0.995
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.989
_reflns_number_gt                3957
_reflns_number_total             4565
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt01401d2.cif
_cod_data_source_block           RB_0ma_a
_cod_depositor_comments
'Adding full bibliography for 7716747--7716749.cif.'
_cod_original_cell_volume        1301.8(11)
_cod_original_sg_symbol_H-M      'P n'
_cod_database_code               7716747
_shelx_shelxl_version_number     2019/1
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x+1/2, -y, 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 1.01097(8) 1.1073(3) 0.22322(7) 0.1027(4) Uani 1 1 d . . . . .
Cl2 Cl -0.01031(8) 0.3850(3) 0.77536(8) 0.1189(5) Uani 1 1 d . . . . .
O2 O 0.25844(16) 0.4705(4) 0.59033(15) 0.0636(6) Uani 1 1 d . . . . .
O1 O 0.86187(18) 1.0590(4) 0.51217(17) 0.0711(7) Uani 1 1 d . . . . .
N4 N 0.20930(19) 0.8955(6) 0.62186(18) 0.0610(8) Uani 1 1 d . . . . .
N2 N 0.82728(19) 0.6348(5) 0.55535(17) 0.0617(7) Uani 1 1 d . . . . .
H2 H 0.824317 0.447618 0.551137 0.074 Uiso 1 1 calc R U . . .
N1 N 0.88024(19) 0.6313(5) 0.45717(17) 0.0612(7) Uani 1 1 d . . . . .
H1 H 0.875824 0.444324 0.458223 0.073 Uiso 1 1 calc R U . . .
N5 N 0.30049(18) 0.8981(6) 0.55562(17) 0.0577(7) Uani 1 1 d . . . . .
C20 C 0.2564(2) 0.7406(6) 0.58884(19) 0.0500(7) Uani 1 1 d . . . . .
C4 C 0.9114(2) 0.7521(6) 0.40193(19) 0.0505(7) Uani 1 1 d . . . . .
C10 C 0.6888(2) 1.1036(8) 0.6261(2) 0.0640(9) Uani 1 1 d . . . . .
H10 H 0.726659 1.143738 0.677600 0.077 Uiso 1 1 calc R U . . .
C21 C 0.3575(2) 0.7628(7) 0.52319(19) 0.0552(7) Uani 1 1 d . . . . .
H21A H 0.388786 0.607630 0.558672 0.066 Uiso 1 1 calc R U . . .
H21B H 0.399151 0.907119 0.522049 0.066 Uiso 1 1 calc R U . . .
C9 C 0.7134(2) 0.9184(7) 0.57946(19) 0.0520(7) Uani 1 1 d . . . . .
C22 C 0.31439(19) 0.6371(6) 0.44116(19) 0.0496(7) Uani 1 1 d . . . . .
C17 C 0.1587(2) 0.7652(6) 0.65920(19) 0.0533(8) Uani 1 1 d . . . . .
C3 C 0.9778(2) 0.9547(7) 0.4249(2) 0.0570(8) Uani 1 1 d . . . . .
H3 H 1.001805 1.016998 0.477353 0.068 Uiso 1 1 calc R U . . .
N6 N 0.2402(3) 0.4074(9) 0.2872(2) 0.0927(11) Uani 1 1 d . . . . .
C7 C 0.8569(2) 0.7889(5) 0.5085(2) 0.0545(7) Uani 1 1 d . . . . .
C23 C 0.3597(2) 0.4611(8) 0.4104(2) 0.0649(9) Uani 1 1 d . . . . .
H23 H 0.416842 0.415986 0.440312 0.078 Uiso 1 1 calc R U . . .
C2 C 1.0082(2) 1.0644(8) 0.3699(2) 0.0643(9) Uani 1 1 d . . . . .
H2A H 1.052297 1.201428 0.385202 0.077 Uiso 1 1 calc R U . . .
C18 C 0.0964(2) 0.5619(7) 0.6203(2) 0.0586(8) Uani 1 1 d . . . . .
H18 H 0.088799 0.504661 0.569157 0.070 Uiso 1 1 calc R U . . .
N3 N 0.5507(2) 1.1791(9) 0.5256(2) 0.0927(11) Uani 1 1 d . . . . .
C24 C 0.3199(3) 0.3512(9) 0.3344(3) 0.0818(11) Uani 1 1 d . . . . .
H24 H 0.351783 0.228822 0.315463 0.098 Uiso 1 1 calc R U . . .
C14 C 0.0561(2) 0.5303(9) 0.7309(3) 0.0734(11) Uani 1 1 d . . . . .
C11 C 0.6092(3) 1.2291(10) 0.5976(3) 0.0823(11) Uani 1 1 d . . . . .
H11 H 0.595316 1.356791 0.630486 0.099 Uiso 1 1 calc R U . . .
C6 C 0.9091(2) 0.7667(8) 0.2695(2) 0.0701(10) Uani 1 1 d . . . . .
H6 H 0.886648 0.700849 0.217371 0.084 Uiso 1 1 calc R U . . .
C8 C 0.8003(2) 0.7767(7) 0.6126(2) 0.0587(8) Uani 1 1 d . . . . .
H8A H 0.842518 0.924476 0.639953 0.070 Uiso 1 1 calc R U . . .
H8B H 0.800400 0.633004 0.651651 0.070 Uiso 1 1 calc R U . . .
C5 C 0.8777(2) 0.6589(7) 0.3241(2) 0.0641(9) Uani 1 1 d . . . . .
H5 H 0.833528 0.522335 0.308098 0.077 Uiso 1 1 calc R U . . .
C13 C 0.6541(3) 0.8685(9) 0.5042(2) 0.0763(10) Uani 1 1 d . . . . .
H13 H 0.667440 0.749015 0.469293 0.092 Uiso 1 1 calc R U . . .
C26 C 0.2306(2) 0.6936(9) 0.3932(2) 0.0754(10) Uani 1 1 d . . . . .
H26 H 0.196463 0.810130 0.411013 0.090 Uiso 1 1 calc R U . . .
C16 C 0.1698(2) 0.8473(8) 0.7353(2) 0.0673(9) Uani 1 1 d . . . . .
H16 H 0.212221 0.981840 0.762490 0.081 Uiso 1 1 calc R U . . .
C15 C 0.1181(3) 0.7303(9) 0.7713(2) 0.0796(11) Uani 1 1 d . . . . .
H15 H 0.125257 0.786808 0.822354 0.096 Uiso 1 1 calc R U . . .
C19 C 0.0449(2) 0.4418(8) 0.6561(3) 0.0695(10) Uani 1 1 d . . . . .
H19 H 0.003508 0.303147 0.629755 0.083 Uiso 1 1 calc R U . . .
C1 C 0.9731(2) 0.9701(8) 0.2928(2) 0.0651(9) Uani 1 1 d . . . . .
C25 C 0.1981(3) 0.5751(11) 0.3184(3) 0.0982(14) Uani 1 1 d . . . . .
H25 H 0.141197 0.617373 0.287071 0.118 Uiso 1 1 calc R U . . .
C12 C 0.5741(3) 0.9993(12) 0.4811(3) 0.0967(13) Uani 1 1 d . . . . .
H12 H 0.534067 0.957324 0.430639 0.116 Uiso 1 1 calc R U . . .
H5A H 0.297(2) 1.086(8) 0.5563(19) 0.059(9) Uiso 1 1 d . . . . .
H4 H 0.220(2) 1.072(8) 0.6266(19) 0.061(10) Uiso 1 1 d . . . . .
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
_geom_angle_publ_flag
C20 N4 C17 123.7(3) . . ?
C20 N4 H4 114(2) . . ?
C17 N4 H4 121(2) . . ?
C7 N2 C8 121.4(2) . . ?
C7 N2 H2 119.3 . . ?
C8 N2 H2 119.3 . . ?
C7 N1 C4 124.8(2) . . ?
C7 N1 H1 117.6 . . ?
C4 N1 H1 117.6 . . ?
C20 N5 C21 121.8(3) . . ?
C20 N5 H5A 118(2) . . ?
C21 N5 H5A 120(2) . . ?
O2 C20 N5 122.2(3) . . ?
O2 C20 N4 121.7(3) . . ?
N5 C20 N4 116.0(2) . . ?
C5 C4 C3 118.9(3) . . ?
C5 C4 N1 119.7(3) . . ?
C3 C4 N1 121.4(3) . . ?
C11 C10 C9 120.6(4) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
N5 C21 C22 115.3(3) . . ?
N5 C21 H21A 108.4 . . ?
C22 C21 H21A 108.4 . . ?
N5 C21 H21B 108.4 . . ?
C22 C21 H21B 108.4 . . ?
H21A C21 H21B 107.5 . . ?
C10 C9 C13 116.5(3) . . ?
C10 C9 C8 119.8(3) . . ?
C13 C9 C8 123.7(3) . . ?
C23 C22 C26 116.7(3) . . ?
C23 C22 C21 120.0(3) . . ?
C26 C22 C21 123.3(3) . . ?
C18 C17 C16 119.0(3) . . ?
C18 C17 N4 121.2(3) . . ?
C16 C17 N4 119.8(3) . . ?
C2 C3 C4 120.1(3) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
C25 N6 C24 114.5(4) . . ?
O1 C7 N2 121.6(3) . . ?
O1 C7 N1 122.4(3) . . ?
N2 C7 N1 116.0(2) . . ?
C22 C23 C24 119.5(4) . . ?
C22 C23 H23 120.3 . . ?
C24 C23 H23 120.3 . . ?
C1 C2 C3 119.8(3) . . ?
C1 C2 H2A 120.1 . . ?
C3 C2 H2A 120.1 . . ?
C17 C18 C19 121.0(3) . . ?
C17 C18 H18 119.5 . . ?
C19 C18 H18 119.5 . . ?
C12 N3 C11 115.7(4) . . ?
N6 C24 C23 124.6(4) . . ?
N6 C24 H24 117.7 . . ?
C23 C24 H24 117.7 . . ?
C19 C14 C15 121.3(3) . . ?
C19 C14 Cl2 119.0(3) . . ?
C15 C14 Cl2 119.8(3) . . ?
N3 C11 C10 123.7(4) . . ?
N3 C11 H11 118.2 . . ?
C10 C11 H11 118.2 . . ?
C1 C6 C5 119.6(3) . . ?
C1 C6 H6 120.2 . . ?
C5 C6 H6 120.2 . . ?
N2 C8 C9 115.6(3) . . ?
N2 C8 H8A 108.4 . . ?
C9 C8 H8A 108.4 . . ?
N2 C8 H8B 108.4 . . ?
C9 C8 H8B 108.4 . . ?
H8A C8 H8B 107.5 . . ?
C4 C5 C6 120.7(3) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C9 C13 C12 118.9(4) . . ?
C9 C13 H13 120.6 . . ?
C12 C13 H13 120.6 . . ?
C22 C26 C25 118.8(4) . . ?
C22 C26 H26 120.6 . . ?
C25 C26 H26 120.6 . . ?
C17 C16 C15 120.3(4) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C14 C15 C16 119.4(4) . . ?
C14 C15 H15 120.3 . . ?
C16 C15 H15 120.3 . . ?
C14 C19 C18 118.9(4) . . ?
C14 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C6 C1 C2 120.9(3) . . ?
C6 C1 Cl1 119.1(3) . . ?
C2 C1 Cl1 120.1(3) . . ?
N6 C25 C26 125.9(4) . . ?
N6 C25 H25 117.1 . . ?
C26 C25 H25 117.1 . . ?
N3 C12 C13 124.6(4) . . ?
N3 C12 H12 117.7 . . ?
C13 C12 H12 117.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cl1 C1 1.742(4) . ?
Cl2 C14 1.746(4) . ?
O2 C20 1.237(3) . ?
O1 C7 1.240(3) . ?
N4 C20 1.365(4) . ?
N4 C17 1.412(4) . ?
N4 H4 0.82(4) . ?
N2 C7 1.343(4) . ?
N2 C8 1.444(4) . ?
N2 H2 0.8600 . ?
N1 C7 1.356(4) . ?
N1 C4 1.416(4) . ?
N1 H1 0.8600 . ?
N5 C20 1.337(4) . ?
N5 C21 1.447(4) . ?
N5 H5A 0.86(4) . ?
C4 C5 1.381(5) . ?
C4 C3 1.389(4) . ?
C10 C11 1.366(5) . ?
C10 C9 1.374(5) . ?
C10 H10 0.9300 . ?
C21 C22 1.507(5) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C9 C13 1.375(5) . ?
C9 C8 1.502(4) . ?
C22 C23 1.370(4) . ?
C22 C26 1.371(5) . ?
C17 C18 1.380(5) . ?
C17 C16 1.382(5) . ?
C3 C2 1.386(5) . ?
C3 H3 0.9300 . ?
N6 C25 1.315(6) . ?
N6 C24 1.315(6) . ?
C23 C24 1.384(6) . ?
C23 H23 0.9300 . ?
C2 C1 1.372(5) . ?
C2 H2A 0.9300 . ?
C18 C19 1.385(5) . ?
C18 H18 0.9300 . ?
N3 C12 1.320(6) . ?
N3 C11 1.327(5) . ?
C24 H24 0.9300 . ?
C14 C19 1.368(6) . ?
C14 C15 1.372(6) . ?
C11 H11 0.9300 . ?
C6 C1 1.364(5) . ?
C6 C5 1.385(5) . ?
C6 H6 0.9300 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C5 H5 0.9300 . ?
C13 C12 1.385(6) . ?
C13 H13 0.9300 . ?
C26 C25 1.374(6) . ?
C26 H26 0.9300 . ?
C16 C15 1.385(5) . ?
C16 H16 0.9300 . ?
C15 H15 0.9300 . ?
C19 H19 0.9300 . ?
C25 H25 0.9300 . ?
C12 H12 0.9300 . ?
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
_geom_torsion_publ_flag
C21 N5 C20 O2 -3.6(5) . . . . ?
C21 N5 C20 N4 175.8(3) . . . . ?
C17 N4 C20 O2 -0.8(5) . . . . ?
C17 N4 C20 N5 179.8(3) . . . . ?
C7 N1 C4 C5 -132.3(4) . . . . ?
C7 N1 C4 C3 50.3(5) . . . . ?
C20 N5 C21 C22 81.0(4) . . . . ?
C11 C10 C9 C13 -0.2(5) . . . . ?
C11 C10 C9 C8 -178.5(3) . . . . ?
N5 C21 C22 C23 -168.8(3) . . . . ?
N5 C21 C22 C26 12.6(4) . . . . ?
C20 N4 C17 C18 -55.0(5) . . . . ?
C20 N4 C17 C16 126.8(4) . . . . ?
C5 C4 C3 C2 1.2(4) . . . . ?
N1 C4 C3 C2 178.6(3) . . . . ?
C8 N2 C7 O1 -0.4(5) . . . . ?
C8 N2 C7 N1 180.0(3) . . . . ?
C4 N1 C7 O1 -0.9(6) . . . . ?
C4 N1 C7 N2 178.8(3) . . . . ?
C26 C22 C23 C24 -0.1(5) . . . . ?
C21 C22 C23 C24 -178.8(3) . . . . ?
C4 C3 C2 C1 -0.6(5) . . . . ?
C16 C17 C18 C19 0.4(5) . . . . ?
N4 C17 C18 C19 -177.8(3) . . . . ?
C25 N6 C24 C23 -1.8(6) . . . . ?
C22 C23 C24 N6 1.4(6) . . . . ?
C12 N3 C11 C10 -0.8(7) . . . . ?
C9 C10 C11 N3 1.5(6) . . . . ?
C7 N2 C8 C9 77.6(4) . . . . ?
C10 C9 C8 N2 -168.0(3) . . . . ?
C13 C9 C8 N2 13.9(5) . . . . ?
C3 C4 C5 C6 -0.4(5) . . . . ?
N1 C4 C5 C6 -177.9(3) . . . . ?
C1 C6 C5 C4 -0.9(5) . . . . ?
C10 C9 C13 C12 -1.6(6) . . . . ?
C8 C9 C13 C12 176.7(4) . . . . ?
C23 C22 C26 C25 -0.6(6) . . . . ?
C21 C22 C26 C25 178.1(4) . . . . ?
C18 C17 C16 C15 -1.0(5) . . . . ?
N4 C17 C16 C15 177.2(3) . . . . ?
C19 C14 C15 C16 0.7(6) . . . . ?
Cl2 C14 C15 C16 -179.2(3) . . . . ?
C17 C16 C15 C14 0.5(6) . . . . ?
C15 C14 C19 C18 -1.3(5) . . . . ?
Cl2 C14 C19 C18 178.6(3) . . . . ?
C17 C18 C19 C14 0.8(5) . . . . ?
C5 C6 C1 C2 1.5(5) . . . . ?
C5 C6 C1 Cl1 -179.1(3) . . . . ?
C3 C2 C1 C6 -0.7(5) . . . . ?
C3 C2 C1 Cl1 179.9(3) . . . . ?
C24 N6 C25 C26 1.0(7) . . . . ?
C22 C26 C25 N6 0.2(7) . . . . ?
C11 N3 C12 C13 -1.1(7) . . . . ?
C9 C13 C12 N3 2.3(7) . . . . ?
