#------------------------------------------------------------------------------
#$Date: 2023-03-06 10:00:08 +0200 (Mon, 06 Mar 2023) $
#$Revision: 281648 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/68/8106828.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_8106828
loop_
_publ_author_name
'An, Zhe'
'Zhu, Ling'
'Zhao, Xin-Hua'
_publ_section_title
;
 Crystal structure of
 bis[4-(3-carboxy-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium]
 benzene-1,4-dicarboxylate (C20H18F2N3O3)2(C8H4O4), C48H40F4N6O10
;
_journal_issue                   1
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              211
_journal_page_last               212
_journal_paper_doi               10.1515/ncrs-2015-0093
_journal_volume                  231
_journal_year                    2016
_chemical_formula_sum            'C48 H40 F4 N6 O10'
_chemical_formula_weight         936.86
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 97.393(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.701(2)
_cell_length_b                   11.1940(8)
_cell_length_c                   13.1275(9)
_cell_measurement_reflns_used    1896
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.52
_cell_measurement_theta_min      2.44
_cell_volume                     4328.3(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  '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  0.0501
_diffrn_reflns_av_sigmaI/netI    0.0718
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16056
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    0.113
_exptl_absorpt_correction_T_max  0.9832
_exptl_absorpt_correction_T_min  0.9777
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1944
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.297
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     321
_refine_ls_number_reflns         3811
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0839
_refine_ls_R_factor_gt           0.0462
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0425P)²+2.4633P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1136
_refine_ls_wR_factor_ref         0.1337
_reflns_number_gt                2440
_reflns_number_total             3811
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            suppl_ncrs-2015-0093_suppl.cif
_cod_data_source_block           a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8738 2021-04-28 16:35:53Z antanas 
;
_cod_original_cell_volume        4328.2(5)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               8106828
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.19156(8) 0.6441(2) 0.95386(15) 0.0415(5) Uani 1 1 d . . .
C2 C 0.24802(8) 0.5542(2) 1.08888(17) 0.0450(6) Uani 1 1 d . . .
C3 C 0.21565(8) 0.6477(2) 1.05278(16) 0.0422(6) Uani 1 1 d . . .
C4 C 0.25530(8) 0.4650(2) 1.01531(17) 0.0457(6) Uani 1 1 d . . .
C5 C 0.16040(8) 0.7337(2) 0.92146(16) 0.0446(6) Uani 1 1 d . . .
H5 H 0.1439 0.7285 0.8565 0.054 Uiso 1 1 calc R . .
C6 C 0.10990(9) 0.9332(2) 0.83976(16) 0.0508(6) Uani 1 1 d . . .
H6A H 0.0884 0.8694 0.8204 0.061 Uiso 1 1 calc R . .
H6B H 0.1356 0.9226 0.8019 0.061 Uiso 1 1 calc R . .
C7 C 0.17117(8) 0.5328(2) 0.79099(16) 0.0452(6) Uani 1 1 d . . .
C8 C 0.20756(8) 0.7435(2) 1.11693(16) 0.0455(6) Uani 1 1 d . . .
H8 H 0.2225 0.7470 1.1836 0.055 Uiso 1 1 calc R . .
C9 C 0.15343(8) 0.8302(2) 0.98343(16) 0.0438(6) Uani 1 1 d . . .
C10 C 0.17823(8) 0.8304(2) 1.08228(16) 0.0462(6) Uani 1 1 d . . .
C11 C 0.23054(8) 0.4657(2) 0.92044(18) 0.0483(6) Uani 1 1 d . . .
H11 H 0.2355 0.4048 0.8750 0.058 Uiso 1 1 calc R . .
C12 C 0.28807(9) 0.3662(2) 1.0409(2) 0.0553(7) Uani 1 1 d . . .
C13 C 0.17452(8) 0.6096(2) 0.71035(17) 0.0530(6) Uani 1 1 d . . .
H13 H 0.1952 0.6725 0.7177 0.064 Uiso 1 1 calc R . .
C14 C 0.11768(10) 0.4988(3) 0.6105(2) 0.0653(8) Uani 1 1 d . . .
C15 C 0.14711(9) 0.5926(3) 0.61872(19) 0.0622(7) Uani 1 1 d . . .
H15 H 0.1487 0.6440 0.5636 0.075 Uiso 1 1 calc R . .
C16 C 0.08758(9) 1.0527(2) 0.81233(19) 0.0569(7) Uani 1 1 d . . .
H16A H 0.1099 1.1160 0.8254 0.068 Uiso 1 1 calc R . .
H16B H 0.0760 1.0539 0.7398 0.068 Uiso 1 1 calc R . .
C17 C 0.14092(9) 0.4392(2) 0.78105(19) 0.0573(7) Uani 1 1 d . . .
H17 H 0.1388 0.3882 0.8362 0.069 Uiso 1 1 calc R . .
C18 C 0.06733(11) 1.0727(3) 0.9843(2) 0.0685(8) Uani 1 1 d . . .
H18A H 0.0428 1.0877 1.0247 0.082 Uiso 1 1 calc R . .
H18B H 0.0900 1.1348 0.9994 0.082 Uiso 1 1 calc R . .
C19 C 0.11360(9) 0.4212(3) 0.6885(2) 0.0680(8) Uani 1 1 d . . .
H19 H 0.0931 0.3580 0.6800 0.082 Uiso 1 1 calc R . .
C20 C 0.08827(10) 0.9517(3) 1.01151(19) 0.0656(8) Uani 1 1 d . . .
H20A H 0.1000 0.9499 1.0840 0.079 Uiso 1 1 calc R . .
H20B H 0.0652 0.8902 0.9988 0.079 Uiso 1 1 calc R . .
C21 C 0.0000 0.5446(3) 0.2500 0.0576(9) Uani 1 2 d S . .
C22 C 0.0000 0.2969(3) 0.2500 0.0534(9) Uani 1 2 d S . .
C23 C 0.0000 0.1632(3) 0.2500 0.0572(9) Uani 1 2 d S . .
C24 C 0.00257(10) 0.3593(2) 0.3412(2) 0.0662(8) Uani 1 1 d . . .
H24 H 0.0038 0.3181 0.4031 0.079 Uiso 1 1 calc R . .
C25 C 0.00326(10) 0.4824(3) 0.3410(2) 0.0700(8) Uani 1 1 d . . .
H25 H 0.0060 0.5238 0.4029 0.084 Uiso 1 1 calc R . .
C26 C 0.0000 0.6794(4) 0.2500 0.0782(13) Uani 1 2 d S . .
F1 F 0.17314(5) 0.92584(13) 1.14399(10) 0.0660(4) Uani 1 1 d . . .
F2 F 0.09118(6) 0.4814(2) 0.51941(12) 0.1029(7) Uani 1 1 d . . .
H1 H 0.2926(13) 0.433(3) 1.174(3) 0.123(13) Uiso 1 1 d . . .
H1M H 0.0332(10) 1.150(3) 0.855(2) 0.075(8) Uiso 1 1 d . . .
H2M H 0.0222(12) 1.003(3) 0.855(2) 0.105(10) Uiso 1 1 d . . .
N1 N 0.19934(7) 0.54931(17) 0.88855(13) 0.0455(5) Uani 1 1 d . . .
N2 N 0.12528(7) 0.92694(17) 0.95023(13) 0.0476(5) Uani 1 1 d . . .
N3 N 0.04981(8) 1.0741(2) 0.87371(16) 0.0538(6) Uani 1 1 d . . .
O1 O -0.00709(7) 0.11067(17) 0.33098(14) 0.0719(6) Uani 1 1 d . . .
O2 O 0.00013(11) 0.7313(2) 0.3328(2) 0.1239(10) Uani 1 1 d . . .
O3 O 0.30467(6) 0.35811(18) 1.13961(15) 0.0672(5) Uani 1 1 d . . .
O4 O 0.29905(7) 0.29646(17) 0.97822(15) 0.0751(6) Uani 1 1 d . . .
O5 O 0.26781(6) 0.55457(16) 1.17970(12) 0.0584(5) Uani 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'
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'
F F 0.0171 0.0103 '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 C1 C3 120.2(2) . .
C5 C1 N1 120.89(19) . .
C3 C1 N1 118.9(2) . .
O5 C2 C4 123.4(2) . .
O5 C2 C3 120.9(2) . .
C4 C2 C3 115.7(2) . .
C1 C3 C8 118.2(2) . .
C1 C3 C2 121.2(2) . .
C8 C3 C2 120.7(2) . .
C11 C4 C2 120.3(2) . .
C11 C4 C12 118.2(2) . .
C2 C4 C12 121.4(2) . .
C9 C5 C1 121.7(2) . .
C9 C5 H5 119.1 . .
C1 C5 H5 119.1 . .
N2 C6 C16 110.40(19) . .
N2 C6 H6A 109.6 . .
C16 C6 H6A 109.6 . .
N2 C6 H6B 109.6 . .
C16 C6 H6B 109.6 . .
H6A C6 H6B 108.1 . .
C17 C7 C13 120.9(2) . .
C17 C7 N1 118.5(2) . .
C13 C7 N1 120.6(2) . .
C10 C8 C3 120.2(2) . .
C10 C8 H8 119.9 . .
C3 C8 H8 119.9 . .
C5 C9 N2 123.2(2) . .
C5 C9 C10 116.3(2) . .
N2 C9 C10 120.3(2) . .
C8 C10 F1 118.9(2) . .
C8 C10 C9 123.3(2) . .
F1 C10 C9 117.7(2) . .
N1 C11 C4 123.9(2) . .
N1 C11 H11 118.1 . .
C4 C11 H11 118.1 . .
O4 C12 O3 121.4(2) . .
O4 C12 C4 123.6(2) . .
O3 C12 C4 115.0(2) . .
C15 C13 C7 119.5(3) . .
C15 C13 H13 120.3 . .
C7 C13 H13 120.3 . .
F2 C14 C19 118.2(3) . .
F2 C14 C15 118.3(3) . .
C19 C14 C15 123.5(2) . .
C14 C15 C13 118.5(3) . .
C14 C15 H15 120.7 . .
C13 C15 H15 120.7 . .
N3 C16 C6 110.6(2) . .
N3 C16 H16A 109.5 . .
C6 C16 H16A 109.5 . .
N3 C16 H16B 109.5 . .
C6 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
C7 C17 C19 119.7(2) . .
C7 C17 H17 120.2 . .
C19 C17 H17 120.2 . .
N3 C18 C20 108.9(2) . .
N3 C18 H18A 109.9 . .
C20 C18 H18A 109.9 . .
N3 C18 H18B 109.9 . .
C20 C18 H18B 109.9 . .
H18A C18 H18B 108.3 . .
C14 C19 C17 117.9(3) . .
C14 C19 H19 121.0 . .
C17 C19 H19 121.0 . .
N2 C20 C18 110.7(2) . .
N2 C20 H20A 109.5 . .
C18 C20 H20A 109.5 . .
N2 C20 H20B 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 108.1 . .
C25 C21 C25 119.2(4) 2 .
C25 C21 C26 120.40(18) 2 .
C25 C21 C26 120.40(18) . .
C24 C22 C24 119.2(3) . 2
C24 C22 C23 120.41(17) . .
C24 C22 C23 120.41(17) 2 .
O1 C23 O1 124.2(3) 2 .
O1 C23 C22 117.92(17) 2 .
O1 C23 C22 117.92(17) . .
C25 C24 C22 120.2(3) . .
C25 C24 H24 119.9 . .
C22 C24 H24 119.9 . .
C21 C25 C24 120.6(3) . .
C21 C25 H25 119.7 . .
C24 C25 H25 119.7 . .
O2 C26 O2 123.7(4) . 2
O2 C26 C21 118.1(2) . .
O2 C26 C21 118.1(2) 2 .
C11 N1 C1 119.83(19) . .
C11 N1 C7 118.87(19) . .
C1 N1 C7 121.00(18) . .
C9 N2 C6 116.23(17) . .
C9 N2 C20 115.67(18) . .
C6 N2 C20 111.89(19) . .
C18 N3 C16 109.7(2) . .
C18 N3 H1M 110.4(15) . .
C16 N3 H1M 113.1(15) . .
C18 N3 H2M 110.6(15) . .
C16 N3 H2M 110.0(15) . .
H1M N3 H2M 103(2) . .
C12 O3 H1 105.3(19) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C5 1.393(3) .
C1 C3 1.400(3) .
C1 N1 1.402(3) .
C2 O5 1.260(3) .
C2 C4 1.425(3) .
C2 C3 1.458(3) .
C3 C8 1.404(3) .
C4 C11 1.362(3) .
C4 C12 1.484(3) .
C5 C9 1.384(3) .
C5 H5 0.9300 .
C6 N2 1.465(3) .
C6 C16 1.516(3) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C17 1.376(3) .
C7 C13 1.377(3) .
C7 N1 1.449(3) .
C8 C10 1.345(3) .
C8 H8 0.9300 .
C9 N2 1.403(3) .
C9 C10 1.407(3) .
C10 F1 1.361(2) .
C11 N1 1.345(3) .
C11 H11 0.9300 .
C12 O4 1.209(3) .
C12 O3 1.329(3) .
C13 C15 1.376(3) .
C13 H13 0.9300 .
C14 F2 1.359(3) .
C14 C19 1.361(4) .
C14 C15 1.361(4) .
C15 H15 0.9300 .
C16 N3 1.482(3) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C19 1.386(4) .
C17 H17 0.9300 .
C18 N3 1.478(3) .
C18 C20 1.514(4) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 H19 0.9300 .
C20 N2 1.470(3) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C25 1.375(3) 2
C21 C25 1.375(3) .
C21 C26 1.509(6) .
C22 C24 1.380(3) .
C22 C24 1.380(3) 2
C22 C23 1.496(5) .
C23 O1 1.256(2) 2
C23 O1 1.256(2) .
C24 C25 1.379(4) .
C24 H24 0.9300 .
C25 H25 0.9300 .
C26 O2 1.233(3) .
C26 O2 1.233(3) 2
N3 H1M 0.99(3) .
N3 H2M 1.15(4) .
O3 H1 1.04(4) .
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
C5 C1 C3 C8 -0.3(3) . . . .
N1 C1 C3 C8 179.7(2) . . . .
C5 C1 C3 C2 179.2(2) . . . .
N1 C1 C3 C2 -0.8(3) . . . .
O5 C2 C3 C1 -176.2(2) . . . .
C4 C2 C3 C1 3.8(3) . . . .
O5 C2 C3 C8 3.3(3) . . . .
C4 C2 C3 C8 -176.7(2) . . . .
O5 C2 C4 C11 175.6(2) . . . .
C3 C2 C4 C11 -4.4(3) . . . .
O5 C2 C4 C12 -1.3(4) . . . .
C3 C2 C4 C12 178.7(2) . . . .
C3 C1 C5 C9 2.3(3) . . . .
N1 C1 C5 C9 -177.7(2) . . . .
C1 C3 C8 C10 -1.7(3) . . . .
C2 C3 C8 C10 178.8(2) . . . .
C1 C5 C9 N2 174.4(2) . . . .
C1 C5 C9 C10 -2.4(3) . . . .
C3 C8 C10 F1 -176.1(2) . . . .
C3 C8 C10 C9 1.6(4) . . . .
C5 C9 C10 C8 0.4(3) . . . .
N2 C9 C10 C8 -176.5(2) . . . .
C5 C9 C10 F1 178.1(2) . . . .
N2 C9 C10 F1 1.2(3) . . . .
C2 C4 C11 N1 1.9(4) . . . .
C12 C4 C11 N1 179.0(2) . . . .
C11 C4 C12 O4 11.5(4) . . . .
C2 C4 C12 O4 -171.5(2) . . . .
C11 C4 C12 O3 -167.9(2) . . . .
C2 C4 C12 O3 9.1(3) . . . .
C17 C7 C13 C15 0.2(4) . . . .
N1 C7 C13 C15 -179.5(2) . . . .
F2 C14 C15 C13 -179.0(2) . . . .
C19 C14 C15 C13 0.5(4) . . . .
C7 C13 C15 C14 -0.7(4) . . . .
N2 C6 C16 N3 -55.9(3) . . . .
C13 C7 C17 C19 0.4(4) . . . .
N1 C7 C17 C19 -179.9(2) . . . .
F2 C14 C19 C17 179.7(2) . . . .
C15 C14 C19 C17 0.1(4) . . . .
C7 C17 C19 C14 -0.6(4) . . . .
N3 C18 C20 N2 59.0(3) . . . .
C24 C22 C23 O1 -165.52(18) . . . 2
C24 C22 C23 O1 14.48(18) 2 . . 2
C24 C22 C23 O1 14.48(18) . . . .
C24 C22 C23 O1 -165.52(18) 2 . . .
C24 C22 C24 C25 -1.0(2) 2 . . .
C23 C22 C24 C25 179.0(2) . . . .
C25 C21 C25 C24 -1.0(2) 2 . . .
C26 C21 C25 C24 179.0(2) . . . .
C22 C24 C25 C21 2.0(4) . . . .
C25 C21 C26 O2 175.6(2) 2 . . .
C25 C21 C26 O2 -4.4(2) . . . .
C25 C21 C26 O2 -4.4(2) 2 . . 2
C25 C21 C26 O2 175.6(2) . . . 2
C4 C11 N1 C1 1.4(3) . . . .
C4 C11 N1 C7 -172.4(2) . . . .
C5 C1 N1 C11 178.1(2) . . . .
C3 C1 N1 C11 -1.9(3) . . . .
C5 C1 N1 C7 -8.2(3) . . . .
C3 C1 N1 C7 171.8(2) . . . .
C17 C7 N1 C11 65.8(3) . . . .
C13 C7 N1 C11 -114.5(3) . . . .
C17 C7 N1 C1 -107.9(3) . . . .
C13 C7 N1 C1 71.8(3) . . . .
C5 C9 N2 C6 -11.3(3) . . . .
C10 C9 N2 C6 165.4(2) . . . .
C5 C9 N2 C20 123.0(2) . . . .
C10 C9 N2 C20 -60.4(3) . . . .
C16 C6 N2 C9 -169.3(2) . . . .
C16 C6 N2 C20 54.8(3) . . . .
C18 C20 N2 C9 166.9(2) . . . .
C18 C20 N2 C6 -56.9(3) . . . .
C20 C18 N3 C16 -60.3(3) . . . .
C6 C16 N3 C18 59.4(3) . . . .
