#------------------------------------------------------------------------------
#$Date: 2023-05-05 06:24:04 +0300 (Fri, 05 May 2023) $
#$Revision: 283477 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/15/91/7159193.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_7159193
loop_
_publ_author_name
'Mai, Jiexiong'
'Huang, Ziwei'
'Lv, Shaohuan'
'Chen, Quan'
'Chen, Rongrong'
'Xie, Feng'
'Wang, Jun'
'Li, Bin'
_publ_section_title
;
 Visible light-induced cascade N-alkylation/amidation reaction of
 quinazolin-4(3H)-ones and related N-heterocycles.
;
_journal_issue                   11
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              2423
_journal_page_last               2428
_journal_paper_doi               10.1039/d2ob02226e
_journal_volume                  21
_journal_year                    2023
_chemical_formula_moiety         'C22 H17 Cl N2 O2'
_chemical_formula_sum            'C22 H17 Cl N2 O2'
_chemical_formula_weight         376.82
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-11-10
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-07-12 deposited with the CCDC.	2023-02-24 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.330(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.3628(8)
_cell_length_b                   8.7568(5)
_cell_length_c                   17.4770(12)
_cell_measurement_reflns_used    3620
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      28.2580
_cell_measurement_theta_min      2.6330
_cell_volume                     1785.4(2)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 5.2684
_diffrn_detector_type            AtlasS2
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -13.00  82.00   1.00    1.61    --   12.05  77.00 -60.00   95
  2  ω    -50.00  37.00   1.00    1.61    --   12.05 -77.00-180.00   87
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, AtlasS2'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0357712000
_diffrn_orient_matrix_UB_12      -0.0288562000
_diffrn_orient_matrix_UB_13      0.0378605000
_diffrn_orient_matrix_UB_21      0.0400005000
_diffrn_orient_matrix_UB_22      0.0593261000
_diffrn_orient_matrix_UB_23      0.0022879000
_diffrn_orient_matrix_UB_31      -0.0285198000
_diffrn_orient_matrix_UB_32      0.0470402000
_diffrn_orient_matrix_UB_33      0.0203102000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            7149
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.992
_diffrn_reflns_theta_max         24.992
_diffrn_reflns_theta_min         2.470
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.234
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.83436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.402
_exptl_crystal_description       block
_exptl_crystal_F_000             784
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.181
_refine_diff_density_min         -0.325
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         3149
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0387
_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)+(0.0378P)²+0.4095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0875
_refine_ls_wR_factor_ref         0.0930
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2628
_reflns_number_total             3149
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ob02226e2.cif
_cod_data_source_block           0915-2
_cod_depositor_comments          'Adding full bibliography for 7159193.cif.'
_cod_database_code               7159193
_shelx_shelxl_version_number     2018/3
_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.
;
_reflns_odcompleteness_completeness 99.92
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C16(H16A,H16B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C13(H13),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.266
_oxdiff_exptl_absorpt_empirical_full_min 0.837
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -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 -0.35012(4) 0.96748(6) 0.68831(3) 0.04411(17) Uani 1 1 d . . . . .
O1 O -0.03164(10) 0.90728(13) 0.57766(8) 0.0350(3) Uani 1 1 d . . . . .
O2 O 0.16735(11) 0.47036(14) 0.58017(8) 0.0381(3) Uani 1 1 d . . . . .
N1 N -0.09328(11) 0.69184(15) 0.62296(8) 0.0247(3) Uani 1 1 d . . . . .
N2 N 0.06817(11) 0.68938(15) 0.57896(8) 0.0229(3) Uani 1 1 d . . . . .
C1 C -0.29960(14) 0.76770(18) 0.58718(10) 0.0251(4) Uani 1 1 d . . . . .
C2 C -0.33029(15) 0.6764(2) 0.51854(10) 0.0317(4) Uani 1 1 d . . . . .
H2 H -0.272820 0.621412 0.505096 0.038 Uiso 1 1 calc R U . . .
C3 C -0.44378(17) 0.6643(2) 0.46924(11) 0.0404(5) Uani 1 1 d . . . . .
H3 H -0.463730 0.600099 0.422837 0.048 Uiso 1 1 calc R U . . .
C4 C -0.52777(16) 0.7454(2) 0.48746(13) 0.0449(5) Uani 1 1 d . . . . .
H4 H -0.605494 0.736777 0.453631 0.054 Uiso 1 1 calc R U . . .
C5 C -0.49905(15) 0.8389(2) 0.55473(13) 0.0395(5) Uani 1 1 d . . . . .
H5 H -0.556372 0.895873 0.567303 0.047 Uiso 1 1 calc R U . . .
C6 C -0.38638(14) 0.84834(19) 0.60321(11) 0.0290(4) Uani 1 1 d . . . . .
C7 C -0.17851(13) 0.7821(2) 0.64456(11) 0.0296(4) Uani 1 1 d . . . . .
H7A H -0.155814 0.890963 0.647448 0.036 Uiso 1 1 calc R U . . .
H7B H -0.177034 0.751107 0.699372 0.036 Uiso 1 1 calc R U . . .
C8 C -0.08081(14) 0.53585(18) 0.64048(9) 0.0239(4) Uani 1 1 d . . . . .
C9 C 0.00806(13) 0.45610(18) 0.62615(9) 0.0225(4) Uani 1 1 d . . . . .
C10 C 0.02207(15) 0.3004(2) 0.64330(10) 0.0294(4) Uani 1 1 d . . . . .
H10 H 0.082858 0.246529 0.633471 0.035 Uiso 1 1 calc R U . . .
C11 C -0.05125(16) 0.2246(2) 0.67424(10) 0.0341(4) Uani 1 1 d . . . . .
H11 H -0.041629 0.118407 0.685675 0.041 Uiso 1 1 calc R U . . .
C12 C -0.13935(16) 0.3039(2) 0.68868(11) 0.0361(5) Uani 1 1 d . . . . .
H12 H -0.189924 0.251392 0.710358 0.043 Uiso 1 1 calc R U . . .
C13 C -0.15495(15) 0.4578(2) 0.67212(11) 0.0318(4) Uani 1 1 d . . . . .
H13 H -0.215984 0.510662 0.682215 0.038 Uiso 1 1 calc R U . . .
C14 C -0.02070(13) 0.77143(19) 0.59229(9) 0.0246(4) Uani 1 1 d . . . . .
C15 C 0.08795(14) 0.53433(19) 0.59375(10) 0.0247(4) Uani 1 1 d . . . . .
C16 C 0.14685(14) 0.7787(2) 0.54802(10) 0.0278(4) Uani 1 1 d . . . . .
H16A H 0.101756 0.852462 0.506830 0.033 Uiso 1 1 calc R U . . .
H16B H 0.186285 0.708791 0.521365 0.033 Uiso 1 1 calc R U . . .
C17 C 0.23514(13) 0.86417(19) 0.61506(10) 0.0248(4) Uani 1 1 d . . . . .
C18 C 0.23901(14) 1.0224(2) 0.61398(11) 0.0308(4) Uani 1 1 d . . . . .
H18 H 0.186616 1.076816 0.570271 0.037 Uiso 1 1 calc R U . . .
C19 C 0.31859(15) 1.1021(2) 0.67604(12) 0.0370(5) Uani 1 1 d . . . . .
H19 H 0.320529 1.210539 0.674615 0.044 Uiso 1 1 calc R U . . .
C20 C 0.39502(15) 1.0240(2) 0.73992(11) 0.0365(5) Uani 1 1 d . . . . .
H20 H 0.448496 1.078397 0.783061 0.044 Uiso 1 1 calc R U . . .
C21 C 0.39323(15) 0.8662(2) 0.74070(11) 0.0359(5) Uani 1 1 d . . . . .
H21 H 0.446441 0.812027 0.784094 0.043 Uiso 1 1 calc R U . . .
C22 C 0.31424(14) 0.7867(2) 0.67852(10) 0.0295(4) Uani 1 1 d . . . . .
H22 H 0.314148 0.678216 0.679262 0.035 Uiso 1 1 calc R U . . .
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
C8 N1 C7 120.55(14) . . ?
C14 N1 C7 116.39(14) . . ?
C14 N1 C8 122.77(14) . . ?
C14 N2 C16 115.91(14) . . ?
C15 N2 C14 124.91(14) . . ?
C15 N2 C16 119.17(14) . . ?
C2 C1 C6 117.37(15) . . ?
C2 C1 C7 123.48(15) . . ?
C6 C1 C7 119.15(15) . . ?
C1 C2 H2 119.6 . . ?
C1 C2 C3 120.85(17) . . ?
C3 C2 H2 119.6 . . ?
C2 C3 H3 119.9 . . ?
C4 C3 C2 120.11(18) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.09(17) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.5 . . ?
C6 C5 C4 118.96(18) . . ?
C6 C5 H5 120.5 . . ?
C1 C6 Cl1 118.51(13) . . ?
C5 C6 Cl1 118.88(14) . . ?
C5 C6 C1 122.61(17) . . ?
N1 C7 C1 115.13(14) . . ?
N1 C7 H7A 108.5 . . ?
N1 C7 H7B 108.5 . . ?
C1 C7 H7A 108.5 . . ?
C1 C7 H7B 108.5 . . ?
H7A C7 H7B 107.5 . . ?
C9 C8 N1 119.15(15) . . ?
C9 C8 C13 119.11(16) . . ?
C13 C8 N1 121.74(15) . . ?
C8 C9 C10 120.05(16) . . ?
C8 C9 C15 120.61(15) . . ?
C10 C9 C15 119.33(15) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 C9 120.48(17) . . ?
C11 C10 H10 119.8 . . ?
C10 C11 H11 120.3 . . ?
C10 C11 C12 119.46(17) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 H12 119.5 . . ?
C13 C12 C11 121.08(18) . . ?
C13 C12 H12 119.5 . . ?
C8 C13 H13 120.1 . . ?
C12 C13 C8 119.80(17) . . ?
C12 C13 H13 120.1 . . ?
O1 C14 N1 122.41(15) . . ?
O1 C14 N2 120.53(15) . . ?
N1 C14 N2 117.06(14) . . ?
O2 C15 N2 121.09(16) . . ?
O2 C15 C9 123.41(16) . . ?
N2 C15 C9 115.50(14) . . ?
N2 C16 H16A 109.3 . . ?
N2 C16 H16B 109.3 . . ?
N2 C16 C17 111.81(13) . . ?
H16A C16 H16B 107.9 . . ?
C17 C16 H16A 109.3 . . ?
C17 C16 H16B 109.3 . . ?
C18 C17 C16 120.27(15) . . ?
C18 C17 C22 118.73(16) . . ?
C22 C17 C16 121.00(16) . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.72(16) . . ?
C19 C18 H18 119.6 . . ?
C18 C19 H19 120.0 . . ?
C20 C19 C18 120.04(18) . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.2 . . ?
C19 C20 C21 119.62(17) . . ?
C21 C20 H20 120.2 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.29(17) . . ?
C22 C21 H21 119.9 . . ?
C17 C22 H22 119.7 . . ?
C21 C22 C17 120.57(17) . . ?
C21 C22 H22 119.7 . . ?
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 C6 1.7492(18) . ?
O1 C14 1.215(2) . ?
O2 C15 1.2198(19) . ?
N1 C7 1.463(2) . ?
N1 C8 1.397(2) . ?
N1 C14 1.377(2) . ?
N2 C14 1.395(2) . ?
N2 C15 1.389(2) . ?
N2 C16 1.483(2) . ?
C1 C2 1.386(2) . ?
C1 C6 1.388(2) . ?
C1 C7 1.506(2) . ?
C2 H2 0.9500 . ?
C2 C3 1.386(3) . ?
C3 H3 0.9500 . ?
C3 C4 1.379(3) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(3) . ?
C5 H5 0.9500 . ?
C5 C6 1.373(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.393(2) . ?
C8 C13 1.396(2) . ?
C9 C10 1.394(2) . ?
C9 C15 1.461(2) . ?
C10 H10 0.9500 . ?
C10 C11 1.371(3) . ?
C11 H11 0.9500 . ?
C11 C12 1.384(3) . ?
C12 H12 0.9500 . ?
C12 C13 1.379(3) . ?
C13 H13 0.9500 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.509(2) . ?
C17 C18 1.387(2) . ?
C17 C22 1.389(2) . ?
C18 H18 0.9500 . ?
C18 C19 1.388(3) . ?
C19 H19 0.9500 . ?
C19 C20 1.382(3) . ?
C20 H20 0.9500 . ?
C20 C21 1.382(3) . ?
C21 H21 0.9500 . ?
C21 C22 1.384(2) . ?
C22 H22 0.9500 . ?
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
N1 C8 C9 C10 179.93(14) . . . . ?
N1 C8 C9 C15 0.4(2) . . . . ?
N1 C8 C13 C12 -179.87(15) . . . . ?
N2 C16 C17 C18 -117.85(17) . . . . ?
N2 C16 C17 C22 62.5(2) . . . . ?
C1 C2 C3 C4 1.0(3) . . . . ?
C2 C1 C6 Cl1 -178.79(13) . . . . ?
C2 C1 C6 C5 0.8(3) . . . . ?
C2 C1 C7 N1 0.0(2) . . . . ?
C2 C3 C4 C5 0.1(3) . . . . ?
C3 C4 C5 C6 -0.7(3) . . . . ?
C4 C5 C6 Cl1 179.80(14) . . . . ?
C4 C5 C6 C1 0.2(3) . . . . ?
C6 C1 C2 C3 -1.4(3) . . . . ?
C6 C1 C7 N1 179.48(15) . . . . ?
C7 N1 C8 C9 -174.01(14) . . . . ?
C7 N1 C8 C13 5.9(2) . . . . ?
C7 N1 C14 O1 -5.7(2) . . . . ?
C7 N1 C14 N2 173.82(13) . . . . ?
C7 C1 C2 C3 178.12(17) . . . . ?
C7 C1 C6 Cl1 1.7(2) . . . . ?
C7 C1 C6 C5 -178.71(17) . . . . ?
C8 N1 C7 C1 -79.75(19) . . . . ?
C8 N1 C14 O1 -179.54(15) . . . . ?
C8 N1 C14 N2 -0.1(2) . . . . ?
C8 C9 C10 C11 0.1(2) . . . . ?
C8 C9 C15 O2 179.86(15) . . . . ?
C8 C9 C15 N2 -0.1(2) . . . . ?
C9 C8 C13 C12 0.0(2) . . . . ?
C9 C10 C11 C12 -0.2(2) . . . . ?
C10 C9 C15 O2 0.4(2) . . . . ?
C10 C9 C15 N2 -179.56(14) . . . . ?
C10 C11 C12 C13 0.3(3) . . . . ?
C11 C12 C13 C8 -0.2(3) . . . . ?
C13 C8 C9 C10 0.0(2) . . . . ?
C13 C8 C9 C15 -179.45(14) . . . . ?
C14 N1 C7 C1 106.22(17) . . . . ?
C14 N1 C8 C9 -0.4(2) . . . . ?
C14 N1 C8 C13 179.51(15) . . . . ?
C14 N2 C15 O2 179.66(15) . . . . ?
C14 N2 C15 C9 -0.4(2) . . . . ?
C14 N2 C16 C17 80.34(17) . . . . ?
C15 N2 C14 O1 179.97(15) . . . . ?
C15 N2 C14 N1 0.5(2) . . . . ?
C15 N2 C16 C17 -98.63(17) . . . . ?
C15 C9 C10 C11 179.56(15) . . . . ?
C16 N2 C14 O1 1.1(2) . . . . ?
C16 N2 C14 N1 -178.42(13) . . . . ?
C16 N2 C15 O2 -1.5(2) . . . . ?
C16 N2 C15 C9 178.45(13) . . . . ?
C16 C17 C18 C19 178.90(16) . . . . ?
C16 C17 C22 C21 -178.53(16) . . . . ?
C17 C18 C19 C20 -0.1(3) . . . . ?
C18 C17 C22 C21 1.9(3) . . . . ?
C18 C19 C20 C21 1.3(3) . . . . ?
C19 C20 C21 C22 -1.0(3) . . . . ?
C20 C21 C22 C17 -0.6(3) . . . . ?
C22 C17 C18 C19 -1.5(3) . . . . ?
