#------------------------------------------------------------------------------
#$Date: 2025-08-19 15:18:28 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301805 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/71/2227139.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_2227139
loop_
_publ_author_name
'Shi, Chun-Yue'
'Ge, Chun-Hua'
'Liu, Qi-Tao'
_publ_section_title
;
 Bis[N-(4-chlorophenyl)pyridine-3-carboxamide]silver(I) nitrate
;
_journal_coeditor_code           ZL2286
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m877
_journal_paper_doi               10.1107/S1600536810025511
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ag (C12 H9 Cl N2 O)2] N O3'
_chemical_formula_moiety         'C24 H18 Ag Cl2 N4 O2 +, N O3 -'
_chemical_formula_sum            'C24 H18 Ag Cl2 N5 O5'
_chemical_formula_weight         635.20
_chemical_name_systematic
;
Bis[N-(4-chlorophenyl)pyridine-3-carboxamide]silver(I) nitrate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                107.515(2)
_cell_angle_beta                 102.602(2)
_cell_angle_gamma                103.7060(10)
_cell_formula_units_Z            2
_cell_length_a                   10.0745(10)
_cell_length_b                   10.1425(10)
_cell_length_c                   13.473(2)
_cell_measurement_reflns_used    4853
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.79
_cell_measurement_theta_min      2.23
_cell_volume                     1211.6(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0136
_diffrn_reflns_av_sigmaI/netI    0.0228
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            6194
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.19
_exptl_absorpt_coefficient_mu    1.100
_exptl_absorpt_correction_T_max  0.820
_exptl_absorpt_correction_T_min  0.776
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.267
_refine_diff_density_min         -0.393
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4232
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0292
_refine_ls_R_factor_gt           0.0256
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0278P)²+0.6379P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0612
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                3848
_reflns_number_total             4232
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            zl2286.cif
_cod_data_source_block           I
_cod_database_code               2227139
_cod_database_fobs_code          2227139
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag Ag1 0.87169(2) 0.56734(2) 0.518117(14) 0.04869(8) Uani d . 1 . .
Cl Cl1 0.58438(8) 0.45918(8) -0.36615(5) 0.05917(18) Uani d . 1 . .
Cl Cl2 1.33119(13) 1.05319(10) 1.51069(6) 0.0891(3) Uani d . 1 . .
N N2 0.64188(19) 0.3727(2) 0.05514(14) 0.0375(4) Uani d . 1 . .
H H1 0.7178 0.4325 0.1077 0.045 Uiso calc R 1 . .
O O1 0.44206(18) 0.17952(18) 0.01256(13) 0.0507(4) Uani d . 1 . .
N N3 0.9912(2) 0.7669(2) 0.65614(15) 0.0402(4) Uani d . 1 . .
N N1 0.7302(2) 0.3744(2) 0.38083(14) 0.0388(4) Uani d . 1 . .
C C6 0.5572(2) 0.2683(2) 0.07732(17) 0.0356(5) Uani d . 1 . .
C C7 0.6197(2) 0.3948(2) -0.04546(17) 0.0347(5) Uani d . 1 . .
N N4 1.2066(2) 0.9810(2) 1.04496(15) 0.0417(5) Uani d . 1 . .
H H2 1.2615 1.0478 1.0314 0.050 Uiso calc R 1 . .
C C8 0.4900(2) 0.3301(3) -0.12996(18) 0.0406(5) Uani d . 1 . .
H H7 0.4103 0.2727 -0.1208 0.049 Uiso calc R 1 . .
C C3 0.7042(2) 0.2420(3) 0.38709(19) 0.0422(5) Uani d . 1 . .
H H4 0.7352 0.2354 0.4551 0.051 Uiso calc R 1 . .
C C2 0.6833(2) 0.3825(2) 0.28185(17) 0.0355(5) Uani d . 1 . .
H H3 0.6993 0.4742 0.2771 0.043 Uiso calc R 1 . .
C C13 1.0816(2) 0.8926(2) 0.85119(18) 0.0355(5) Uani d . 1 . .
O O2 1.0207(2) 0.7703(2) 0.96688(15) 0.0770(7) Uani d . 1 . .
C C16 1.0810(3) 1.0276(3) 0.7337(2) 0.0457(6) Uani d . 1 . .
H H13 1.1003 1.1159 0.7233 0.055 Uiso calc R 1 . .
C C5 0.5870(2) 0.1236(2) 0.19497(18) 0.0378(5) Uani d . 1 . .
H H6 0.5396 0.0392 0.1327 0.045 Uiso calc R 1 . .
C C4 0.6329(2) 0.1148(3) 0.29612(19) 0.0412(5) Uani d . 1 . .
H H5 0.6161 0.0243 0.3031 0.049 Uiso calc R 1 . .
N N5 0.9683(2) 0.6282(2) 0.31338(17) 0.0501(5) Uani d . 1 . .
C C1 0.6126(2) 0.2601(2) 0.18731(17) 0.0333(5) Uani d . 1 . .
C C23 1.3156(2) 1.1510(3) 1.34542(19) 0.0412(5) Uani d . 1 . .
H H17 1.3479 1.2442 1.3993 0.049 Uiso calc R 1 . .
C C17 1.1113(2) 1.0260(2) 0.8381(2) 0.0413(5) Uani d . 1 . .
H H14 1.1510 1.1130 0.8989 0.050 Uiso calc R 1 . .
C C9 0.4794(3) 0.3512(2) -0.22784(19) 0.0421(5) Uani d . 1 . .
H H8 0.3927 0.3077 -0.2846 0.050 Uiso calc R 1 . .
C C15 1.0219(3) 0.8970(3) 0.6450(2) 0.0453(6) Uani d . 1 . .
H H12 1.0026 0.8990 0.5749 0.054 Uiso calc R 1 . .
C C10 0.5971(3) 0.4366(2) -0.24093(18) 0.0404(5) Uani d . 1 . .
C C24 1.2834(2) 1.1322(2) 1.23596(18) 0.0365(5) Uani d . 1 . .
H H18 1.2933 1.2132 1.2159 0.044 Uiso calc R 1 . .
C C22 1.2991(3) 1.0296(3) 1.37339(19) 0.0453(6) Uani d . 1 . .
C C14 1.0215(2) 0.7664(2) 0.75782(17) 0.0361(5) Uani d . 1 . .
H H11 1.0012 0.6767 0.7662 0.043 Uiso calc R 1 . .
C C19 1.2365(2) 0.9934(2) 1.15612(18) 0.0359(5) Uani d . 1 . .
O O5 0.9102(3) 0.7052(2) 0.3672(2) 0.0828(7) Uani d . 1 . .
C C11 0.7258(3) 0.5049(3) -0.1567(2) 0.0482(6) Uani d . 1 . .
H H9 0.8045 0.5640 -0.1658 0.058 Uiso calc R 1 . .
C C20 1.2222(3) 0.8724(3) 1.1858(2) 0.0440(6) Uani d . 1 . .
H H15 1.1914 0.7791 1.1323 0.053 Uiso calc R 1 . .
C C18 1.1008(2) 0.8748(3) 0.95936(19) 0.0411(5) Uani d . 1 . .
C C12 0.7364(3) 0.4844(2) -0.05886(19) 0.0434(5) Uani d . 1 . .
H H10 0.8224 0.5309 -0.0015 0.052 Uiso calc R 1 . .
O O3 1.0717(3) 0.6017(3) 0.3604(2) 0.0869(7) Uani d . 1 . .
C C21 1.2540(3) 0.8910(3) 1.2953(2) 0.0475(6) Uani d . 1 . .
H H16 1.2450 0.8105 1.3159 0.057 Uiso calc R 1 . .
O O4 0.9214(2) 0.5770(3) 0.21319(16) 0.0913(8) Uani d . 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'
Ag Ag -0.8971 1.1015 '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
N3 Ag1 N1 . . 173.41(7) ?
N3 Ag1 Ag1 . 2_766 100.45(5) ?
N1 Ag1 Ag1 . 2_766 86.14(5) ?
C6 N2 C7 . . 127.13(18) ?
C6 N2 H1 . . 116.4 ?
C7 N2 H1 . . 116.4 ?
C14 N3 C15 . . 117.8(2) ?
C14 N3 Ag1 . . 120.15(15) ?
C15 N3 Ag1 . . 121.49(16) ?
C3 N1 C2 . . 118.20(19) ?
C3 N1 Ag1 . . 121.23(15) ?
C2 N1 Ag1 . . 119.84(15) ?
O1 C6 N2 . . 124.0(2) ?
O1 C6 C1 . . 119.57(19) ?
N2 C6 C1 . . 116.38(18) ?
C12 C7 C8 . . 119.4(2) ?
C12 C7 N2 . . 116.96(19) ?
C8 C7 N2 . . 123.61(19) ?
C18 N4 C19 . . 126.02(19) ?
C18 N4 H2 . . 117.0 ?
C19 N4 H2 . . 117.0 ?
C9 C8 C7 . . 120.0(2) ?
C9 C8 H7 . . 120.0 ?
C7 C8 H7 . . 120.0 ?
N1 C3 C4 . . 122.4(2) ?
N1 C3 H4 . . 118.8 ?
C4 C3 H4 . . 118.8 ?
N1 C2 C1 . . 122.6(2) ?
N1 C2 H3 . . 118.7 ?
C1 C2 H3 . . 118.7 ?
C14 C13 C17 . . 118.0(2) ?
C14 C13 C18 . . 117.1(2) ?
C17 C13 C18 . . 124.7(2) ?
C15 C16 C17 . . 119.3(2) ?
C15 C16 H13 . . 120.4 ?
C17 C16 H13 . . 120.4 ?
C4 C5 C1 . . 119.1(2) ?
C4 C5 H6 . . 120.5 ?
C1 C5 H6 . . 120.5 ?
C5 C4 C3 . . 119.2(2) ?
C5 C4 H5 . . 120.4 ?
C3 C4 H5 . . 120.4 ?
O4 N5 O3 . . 119.8(3) ?
O4 N5 O5 . . 120.0(3) ?
O3 N5 O5 . . 120.1(3) ?
C2 C1 C5 . . 118.5(2) ?
C2 C1 C6 . . 122.95(19) ?
C5 C1 C6 . . 118.50(19) ?
C22 C23 C24 . . 118.9(2) ?
C22 C23 H17 . . 120.5 ?
C24 C23 H17 . . 120.5 ?
C16 C17 C13 . . 119.1(2) ?
C16 C17 H14 . . 120.5 ?
C13 C17 H14 . . 120.5 ?
C10 C9 C8 . . 119.8(2) ?
C10 C9 H8 . . 120.1 ?
C8 C9 H8 . . 120.1 ?
N3 C15 C16 . . 122.5(2) ?
N3 C15 H12 . . 118.8 ?
C16 C15 H12 . . 118.8 ?
C9 C10 C11 . . 120.9(2) ?
C9 C10 Cl1 . . 119.65(18) ?
C11 C10 Cl1 . . 119.43(18) ?
C23 C24 C19 . . 120.3(2) ?
C23 C24 H18 . . 119.9 ?
C19 C24 H18 . . 119.9 ?
C21 C22 C23 . . 121.6(2) ?
C21 C22 Cl2 . . 119.61(19) ?
C23 C22 Cl2 . . 118.78(19) ?
N3 C14 C13 . . 123.3(2) ?
N3 C14 H11 . . 118.3 ?
C13 C14 H11 . . 118.3 ?
C24 C19 C20 . . 120.0(2) ?
C24 C19 N4 . . 117.7(2) ?
C20 C19 N4 . . 122.3(2) ?
C12 C11 C10 . . 119.3(2) ?
C12 C11 H9 . . 120.3 ?
C10 C11 H9 . . 120.3 ?
C21 C20 C19 . . 119.8(2) ?
C21 C20 H15 . . 120.1 ?
C19 C20 H15 . . 120.1 ?
O2 C18 N4 . . 123.4(2) ?
O2 C18 C13 . . 120.3(2) ?
N4 C18 C13 . . 116.31(19) ?
C11 C12 C7 . . 120.5(2) ?
C11 C12 H10 . . 119.8 ?
C7 C12 H10 . . 119.8 ?
C22 C21 C20 . . 119.4(2) ?
C22 C21 H16 . . 120.3 ?
C20 C21 H16 . . 120.3 ?
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
Ag1 N3 . 2.1467(19) ?
Ag1 N1 . 2.1519(18) ?
Ag1 Ag1 2_766 3.2574(5) ?
Cl1 C10 . 1.751(2) ?
Cl2 C22 . 1.738(2) ?
N2 C6 . 1.346(3) ?
N2 C7 . 1.419(3) ?
N2 H1 . 0.8600 ?
O1 C6 . 1.228(3) ?
N3 C14 . 1.339(3) ?
N3 C15 . 1.343(3) ?
N1 C3 . 1.338(3) ?
N1 C2 . 1.348(3) ?
C6 C1 . 1.499(3) ?
C7 C12 . 1.388(3) ?
C7 C8 . 1.389(3) ?
N4 C18 . 1.341(3) ?
N4 C19 . 1.422(3) ?
N4 H2 . 0.8600 ?
C8 C9 . 1.384(3) ?
C8 H7 . 0.9300 ?
C3 C4 . 1.381(3) ?
C3 H4 . 0.9300 ?
C2 C1 . 1.380(3) ?
C2 H3 . 0.9300 ?
C13 C14 . 1.385(3) ?
C13 C17 . 1.387(3) ?
C13 C18 . 1.499(3) ?
O2 C18 . 1.216(3) ?
C16 C15 . 1.379(3) ?
C16 C17 . 1.379(3) ?
C16 H13 . 0.9300 ?
C5 C4 . 1.377(3) ?
C5 C1 . 1.386(3) ?
C5 H6 . 0.9300 ?
C4 H5 . 0.9300 ?
N5 O4 . 1.224(3) ?
N5 O3 . 1.228(3) ?
N5 O5 . 1.240(3) ?
C23 C22 . 1.377(3) ?
C23 C24 . 1.382(3) ?
C23 H17 . 0.9300 ?
C17 H14 . 0.9300 ?
C9 C10 . 1.373(3) ?
C9 H8 . 0.9300 ?
C15 H12 . 0.9300 ?
C10 C11 . 1.381(3) ?
C24 C19 . 1.384(3) ?
C24 H18 . 0.9300 ?
C22 C21 . 1.374(3) ?
C14 H11 . 0.9300 ?
C19 C20 . 1.387(3) ?
C11 C12 . 1.381(3) ?
C11 H9 . 0.9300 ?
C20 C21 . 1.383(3) ?
C20 H15 . 0.9300 ?
C12 H10 . 0.9300 ?
C21 H16 . 0.9300 ?
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
N2 H1 O4 1_555 0.860 2.104 2.953(3) 169.32 yes
N4 H2 O1 1_666 0.860 2.100 2.931(3) 162.07 yes
C2 H3 O5 1_555 0.93 2.51 3.210(3) 133 yes
C3 H4 O3 2_766 0.93 2.57 3.300(3) 136 yes
C4 H5 Cl2 2_767 0.93 2.83 3.516(3) 132 yes
C5 H6 O1 2_655 0.93 2.55 3.376(3) 148 yes
C8 H7 O1 1_555 0.93 2.27 2.841(3) 119 yes
C11 H9 O2 1_554 0.93 2.49 3.194(4) 132 yes
C16 H13 O5 2_776 0.93 2.48 3.370(4) 160 yes
C20 H15 O2 1_555 0.93 2.46 2.906(3) 109 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
Ag1 Ag1 N3 C14 2_766 . . . -83.05(17) ?
Ag1 Ag1 N3 C15 2_766 . . . 105.37(18) ?
Ag1 Ag1 N1 C3 2_766 . . . 66.84(17) ?
Ag1 Ag1 N1 C2 2_766 . . . -103.19(16) ?
C7 N2 C6 O1 . . . . -3.7(4) ?
C7 N2 C6 C1 . . . . 174.4(2) ?
C6 N2 C7 C12 . . . . -164.4(2) ?
C6 N2 C7 C8 . . . . 14.4(4) ?
C12 C7 C8 C9 . . . . 2.2(4) ?
N2 C7 C8 C9 . . . . -176.6(2) ?
C2 N1 C3 C4 . . . . 0.7(3) ?
Ag1 N1 C3 C4 . . . . -169.49(18) ?
C3 N1 C2 C1 . . . . -1.3(3) ?
Ag1 N1 C2 C1 . . . . 169.04(16) ?
C1 C5 C4 C3 . . . . -0.5(3) ?
N1 C3 C4 C5 . . . . 0.2(4) ?
N1 C2 C1 C5 . . . . 1.0(3) ?
N1 C2 C1 C6 . . . . 178.6(2) ?
C4 C5 C1 C2 . . . . 0.0(3) ?
C4 C5 C1 C6 . . . . -177.8(2) ?
O1 C6 C1 C2 . . . . -142.3(2) ?
N2 C6 C1 C2 . . . . 39.6(3) ?
O1 C6 C1 C5 . . . . 35.4(3) ?
N2 C6 C1 C5 . . . . -142.8(2) ?
C15 C16 C17 C13 . . . . 0.1(4) ?
C14 C13 C17 C16 . . . . -0.4(3) ?
C18 C13 C17 C16 . . . . -176.2(2) ?
C7 C8 C9 C10 . . . . -0.3(4) ?
C14 N3 C15 C16 . . . . -0.8(4) ?
Ag1 N3 C15 C16 . . . . 170.97(18) ?
C17 C16 C15 N3 . . . . 0.5(4) ?
C8 C9 C10 C11 . . . . -1.5(4) ?
C8 C9 C10 Cl1 . . . . 178.39(19) ?
C22 C23 C24 C19 . . . . -0.6(4) ?
C24 C23 C22 C21 . . . . 1.2(4) ?
C24 C23 C22 Cl2 . . . . -176.88(19) ?
C15 N3 C14 C13 . . . . 0.4(3) ?
Ag1 N3 C14 C13 . . . . -171.44(16) ?
C17 C13 C14 N3 . . . . 0.2(3) ?
C18 C13 C14 N3 . . . . 176.3(2) ?
C23 C24 C19 C20 . . . . -0.3(3) ?
C23 C24 C19 N4 . . . . -179.3(2) ?
C18 N4 C19 C24 . . . . -143.7(2) ?
C18 N4 C19 C20 . . . . 37.3(4) ?
C9 C10 C11 C12 . . . . 1.2(4) ?
Cl1 C10 C11 C12 . . . . -178.6(2) ?
C24 C19 C20 C21 . . . . 0.4(4) ?
N4 C19 C20 C21 . . . . 179.4(2) ?
C19 N4 C18 O2 . . . . -3.9(4) ?
C19 N4 C18 C13 . . . . 174.3(2) ?
C14 C13 C18 O2 . . . . -28.4(3) ?
C17 C13 C18 O2 . . . . 147.4(3) ?
C14 C13 C18 N4 . . . . 153.3(2) ?
C17 C13 C18 N4 . . . . -30.8(3) ?
C10 C11 C12 C7 . . . . 0.8(4) ?
C8 C7 C12 C11 . . . . -2.5(4) ?
N2 C7 C12 C11 . . . . 176.4(2) ?
C23 C22 C21 C20 . . . . -1.1(4) ?
Cl2 C22 C21 C20 . . . . 177.0(2) ?
C19 C20 C21 C22 . . . . 0.2(4) ?
loop_
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1 PubChem 139079460
