#------------------------------------------------------------------------------
#$Date: 2024-09-06 03:15:56 +0300 (Fri, 06 Sep 2024) $
#$Revision: 294518 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/90/7249007.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_7249007
loop_
_publ_author_name
'Panda, Subhra Jyoti'
'Agrawalla, Suraj Kumar'
'Purohit, Chandra Shekhar'
_publ_section_title
;
 Crystallographic insight into the binding modes of group 12 metal cations
 with N7-alkylated purines
;
_journal_issue                   33
_journal_name_full               CrystEngComm
_journal_page_first              4418
_journal_page_last               4430
_journal_paper_doi               10.1039/D4CE00341A
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C24 H18 Cl8 Hg3 N8'
_chemical_formula_sum            'C24 H18 Cl8 Hg3 N8'
_chemical_formula_weight         1303.83
_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     iterative
_audit_creation_date             2024-03-29
_audit_creation_method
;
Olex2 1.5
(compiled 2023.08.24 svn.re1ec1418 for OlexSys, GUI svn.r6817)
;
_audit_update_record
;
2024-06-02 deposited with the CCDC.	2024-07-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.382(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   14.6958(4)
_cell_length_b                   8.2297(2)
_cell_length_c                   13.5675(3)
_cell_measurement_reflns_used    8459
_cell_measurement_temperature    294.97(10)
_cell_measurement_theta_max      79.3690
_cell_measurement_theta_min      6.1120
_cell_volume                     1608.61(7)
_computing_cell_refinement       'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_data_collection       'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_data_reduction        'CrysAlisPro 1.171.42.52a (Rigaku OD, 2022)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.5 (Bourhis et al., 2015)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      294.97(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 5.8140
_diffrn_detector_type            'Pilatus 200K'
_diffrn_measured_fraction_theta_full 0.9991
_diffrn_measured_fraction_theta_max 0.9789
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -79.00   8.00   0.50    1.00    --  -38.50 108.00  62.00  174
  2  ω     14.00  91.00   0.50    1.00    --   49.56-108.00 -34.00  154
  3  ω    104.00 178.00   0.50    2.00    --  111.00 108.00  62.00  148
  4  ω     43.00 108.00   0.50    2.00    --  111.00-108.00 -34.00  130
  5  ω   -105.00 -35.00   0.50    1.00    --  -38.50 -37.00 -90.00  140
  6  ω   -105.00 -35.00   0.50    1.00    --  -38.50 -37.00 -30.00  140
  7  ω    -17.00  53.00   0.50    1.00    --   49.56 -37.00-180.00  140
  8  ω     38.00 113.00   0.50    1.00    --   49.56  57.00 150.00  150
  9  ω    -17.00  53.00   0.50    1.00    --   49.56 -37.00 -30.00  140
 10  ω    108.00 178.00   0.50    2.00    --  111.00  30.00-120.00  140
 11  ω     43.00 114.00   0.50    2.00    --  111.00 -30.00 120.00  142
 12  ω     43.00 114.00   0.50    2.00    --  111.00 -30.00  60.00  142
 13  ω    103.00 178.00   0.50    2.00    --  111.00  15.00 120.00  150
 14  ω     48.00 124.00   0.50    2.00    --  111.00 -61.00 -30.00  152
 15  ω     43.00 106.00   0.50    2.00    --  111.00 -94.00   0.00  126
 16  ω     47.00 134.00   0.50    2.00    --  111.00 -77.00 -60.00  174
 17  ω     47.00 116.00   0.50    2.00    --  111.00 -45.00   0.00  138
 18  ω     47.00 116.00   0.50    2.00    --  111.00 -45.00 150.00  138
 19  ω     43.00 103.00   0.50    2.00    --  111.00 -94.00-180.00  120
 20  ω     47.00 112.00   0.50    2.00    --  111.00 -45.00  90.00  130
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type
'SuperNova, Dual, Cu at home/near, Pilatus 200K'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.1001691000
_diffrn_orient_matrix_UB_12      -0.0409737000
_diffrn_orient_matrix_UB_13      0.0095858000
_diffrn_orient_matrix_UB_21      -0.0263576000
_diffrn_orient_matrix_UB_22      -0.0265295000
_diffrn_orient_matrix_UB_23      -0.1144887000
_diffrn_orient_matrix_UB_31      0.0265487000
_diffrn_orient_matrix_UB_32      -0.1807436000
_diffrn_orient_matrix_UB_33      0.0146899000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0739
_diffrn_reflns_av_unetI/netI     0.0427
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.977
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13220
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.977
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         79.604
_diffrn_reflns_theta_min         6.144
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    31.564
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.08820
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.52a (Rigaku Oxford Diffraction, 2022)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_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    2.692
_exptl_crystal_description       block
_exptl_crystal_F_000             1188
_exptl_crystal_preparation       'As per the reaction scheme'
_exptl_crystal_recrystallization_method 'Slow evaporation'
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.24
_refine_diff_density_max         2.532
_refine_diff_density_min         -2.145
_refine_diff_density_rms         0.221
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.077
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         3415
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0553
_refine_ls_R_factor_gt           0.0490
_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)+(0.0726P)²+9.5119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1320
_refine_ls_wR_factor_ref         0.1362
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2967
_reflns_number_total             3415
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4ce00341a2.cif
_cod_data_source_block           HgBCP
_cod_depositor_comments
'Adding full bibliography for 7249004--7249012.cif.'
_cod_database_code               7249007
_shelx_shelxl_version_number     2019/2
_chemical_oxdiff_formula         'C H N Cl Hg'
_chemical_oxdiff_usercomment     'colourless white block'
_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   0.049
_shelx_estimated_absorpt_t_min   0.035
_diffrn_oxdiff_digest_frames
;
014c286bca5e9de38ebfe2c3fdf737bbd800029b3f7
;
_diffrn_oxdiff_digest_hkl
;
0114ac105ceb8d9cf81d6050d4c12bae28e097
;
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     71.98
_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:
 C10(H10A,H10B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C8(H8), C12(H12), C13(H13), C14(H14), C15(H15), C16(H16)
;
_olex2_exptl_crystal_mounting_method 'mounted on a loop'
_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 3.268
_oxdiff_exptl_absorpt_empirical_full_min 0.376
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
Hg1 Hg 0.37557(3) 0.27067(6) 0.66349(3) 0.05420(17) Uani 1 1 d . . . . .
Hg2 Hg 0.500000 0.500000 0.500000 0.04808(19) Uani 1 2 d S . P . .
Cl1 Cl 0.01837(14) 0.6054(4) 0.27490(18) 0.0585(6) Uani 1 1 d . . . . .
Cl2 Cl 0.2649(2) 0.2672(3) 0.7628(2) 0.0617(7) Uani 1 1 d . . . . .
Cl3 Cl 0.45927(13) 0.1788(3) 0.54338(15) 0.0417(4) Uani 1 1 d . . . . .
Cl4 Cl 0.46493(15) 0.5640(3) 0.69015(15) 0.0463(5) Uani 1 1 d . . . . .
N1 N 0.0939(5) 0.4345(10) 0.4316(6) 0.0435(16) Uani 1 1 d . . . . .
N3 N 0.2538(4) 0.4178(8) 0.5095(5) 0.0346(13) Uani 1 1 d . . . . .
N7 N 0.2487(4) 0.6777(8) 0.3027(4) 0.0326(13) Uani 1 1 d . . . . .
N9 N 0.3568(4) 0.5686(9) 0.4238(4) 0.0331(13) Uani 1 1 d . . . . .
C2 C 0.1647(6) 0.3824(11) 0.5014(7) 0.0446(19) Uani 1 1 d . . . . .
H2 H 0.149898 0.313131 0.550064 0.054 Uiso 1 1 calc R U . . .
C4 C 0.2713(5) 0.5139(8) 0.4373(5) 0.0278(14) Uani 1 1 d . . . . .
C5 C 0.2025(5) 0.5809(9) 0.3610(5) 0.0308(15) Uani 1 1 d . . . . .
C6 C 0.1121(5) 0.5333(11) 0.3630(6) 0.0374(17) Uani 1 1 d . . . . .
C8 C 0.3392(5) 0.6629(10) 0.3431(5) 0.0328(15) Uani 1 1 d . . . . .
H8 H 0.385528 0.714318 0.316888 0.039 Uiso 1 1 calc R U . . .
C10 C 0.2116(6) 0.7810(10) 0.2147(6) 0.0366(16) Uani 1 1 d . . . . .
H10A H 0.254782 0.869175 0.211665 0.044 Uiso 1 1 calc R U . . .
H10B H 0.153368 0.828547 0.223642 0.044 Uiso 1 1 calc R U . . .
C11 C 0.1956(5) 0.6900(9) 0.1165(5) 0.0300(14) Uani 1 1 d . . . . .
C12 C 0.1061(5) 0.6818(12) 0.0575(6) 0.0406(18) Uani 1 1 d . . . . .
H12 H 0.056965 0.731867 0.079397 0.049 Uiso 1 1 calc R U . . .
C13 C 0.0904(6) 0.5991(12) -0.0338(6) 0.045(2) Uani 1 1 d . . . . .
H13 H 0.030780 0.592792 -0.072529 0.054 Uiso 1 1 calc R U . . .
C14 C 0.1637(7) 0.5265(11) -0.0665(6) 0.0429(19) Uani 1 1 d . . . . .
H14 H 0.153214 0.468329 -0.126444 0.052 Uiso 1 1 calc R U . . .
C15 C 0.2521(7) 0.5401(12) -0.0108(6) 0.046(2) Uani 1 1 d . . . . .
H15 H 0.301590 0.494811 -0.034559 0.055 Uiso 1 1 calc R U . . .
C16 C 0.2680(6) 0.6203(11) 0.0801(6) 0.0410(18) Uani 1 1 d . . . . .
H16 H 0.328206 0.627670 0.117388 0.049 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 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Hg Hg -4.2923 7.6849 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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
Cl2 Hg1 Cl3 157.79(9) . . ?
Cl2 Hg1 Cl4 107.96(9) . . ?
Cl3 Hg1 Cl4 94.15(7) . . ?
Cl3 Hg2 Cl3 180.0 3_666 . ?
Cl4 Hg2 Cl3 95.89(6) 3_666 . ?
Cl4 Hg2 Cl3 95.89(6) . 3_666 ?
Cl4 Hg2 Cl3 84.11(6) 3_666 3_666 ?
Cl4 Hg2 Cl3 84.11(6) . . ?
Cl4 Hg2 Cl4 180.0 3_666 . ?
N9 Hg2 Cl3 96.62(19) 3_666 3_666 ?
N9 Hg2 Cl3 83.38(19) 3_666 . ?
N9 Hg2 Cl3 83.38(19) . 3_666 ?
N9 Hg2 Cl3 96.62(19) . . ?
N9 Hg2 Cl4 87.03(17) 3_666 . ?
N9 Hg2 Cl4 87.03(17) . 3_666 ?
N9 Hg2 Cl4 92.97(17) 3_666 3_666 ?
N9 Hg2 Cl4 92.97(17) . . ?
N9 Hg2 N9 180.0 . 3_666 ?
Hg1 Cl3 Hg2 90.28(7) . . ?
Hg1 Cl4 Hg2 83.23(6) . . ?
C6 N1 C2 117.8(7) . . ?
C4 N3 C2 113.8(7) . . ?
C5 N7 C10 130.2(6) . . ?
C8 N7 C5 105.7(6) . . ?
C8 N7 C10 124.1(7) . . ?
C4 N9 Hg2 131.1(5) . . ?
C8 N9 Hg2 123.0(5) . . ?
C8 N9 C4 105.4(6) . . ?
N1 C2 H2 116.2 . . ?
N3 C2 N1 127.5(8) . . ?
N3 C2 H2 116.2 . . ?
N3 C4 N9 127.5(7) . . ?
N3 C4 C5 124.1(7) . . ?
N9 C4 C5 108.4(6) . . ?
N7 C5 C4 106.4(6) . . ?
C6 C5 N7 138.4(7) . . ?
C6 C5 C4 115.2(7) . . ?
N1 C6 Cl1 117.1(6) . . ?
N1 C6 C5 121.4(8) . . ?
C5 C6 Cl1 121.4(7) . . ?
N7 C8 H8 123.0 . . ?
N9 C8 N7 114.1(7) . . ?
N9 C8 H8 123.0 . . ?
N7 C10 H10A 108.9 . . ?
N7 C10 H10B 108.9 . . ?
N7 C10 C11 113.3(7) . . ?
H10A C10 H10B 107.7 . . ?
C11 C10 H10A 108.9 . . ?
C11 C10 H10B 108.9 . . ?
C12 C11 C10 119.7(7) . . ?
C16 C11 C10 121.7(7) . . ?
C16 C11 C12 118.5(7) . . ?
C11 C12 H12 119.8 . . ?
C13 C12 C11 120.3(8) . . ?
C13 C12 H12 119.8 . . ?
C12 C13 H13 120.2 . . ?
C14 C13 C12 119.7(8) . . ?
C14 C13 H13 120.2 . . ?
C13 C14 H14 119.9 . . ?
C15 C14 C13 120.1(8) . . ?
C15 C14 H14 119.9 . . ?
C14 C15 H15 119.7 . . ?
C14 C15 C16 120.5(8) . . ?
C16 C15 H15 119.7 . . ?
C11 C16 H16 119.6 . . ?
C15 C16 C11 120.8(8) . . ?
C15 C16 H16 119.6 . . ?
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
Hg1 Cl2 2.308(2) . ?
Hg1 Cl3 2.352(2) . ?
Hg1 Cl4 2.738(2) . ?
Hg2 Cl3 2.799(2) 3_666 ?
Hg2 Cl3 2.799(2) . ?
Hg2 Cl4 2.779(2) 3_666 ?
Hg2 Cl4 2.779(2) . ?
Hg2 N9 2.226(6) 3_666 ?
Hg2 N9 2.226(6) . ?
Cl1 C6 1.740(8) . ?
N1 C2 1.333(12) . ?
N1 C6 1.304(12) . ?
N3 C2 1.324(11) . ?
N3 C4 1.324(10) . ?
N7 C5 1.391(10) . ?
N7 C8 1.341(9) . ?
N7 C10 1.479(10) . ?
N9 C4 1.381(10) . ?
N9 C8 1.325(10) . ?
C2 H2 0.9300 . ?
C4 C5 1.409(10) . ?
C5 C6 1.390(11) . ?
C8 H8 0.9300 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 C11 1.505(10) . ?
C11 C12 1.400(10) . ?
C11 C16 1.384(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.392(13) . ?
C13 H13 0.9300 . ?
C13 C14 1.379(14) . ?
C14 H14 0.9300 . ?
C14 C15 1.373(13) . ?
C15 H15 0.9300 . ?
C15 C16 1.377(12) . ?
C16 H16 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
_geom_hbond_publ_flag
C8 H8 Cl3 0.93 2.80 3.323(7) 116.3 3_666 yes
C8 H8 Cl4 0.93 2.90 3.779(8) 157.3 4_575 yes
C10 H10B Cl1 0.97 2.89 3.426(9) 116.0 . 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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Hg2 N9 C4 N3 8.8(11) . . . . ?
Hg2 N9 C4 C5 -172.4(5) . . . . ?
Hg2 N9 C8 N7 174.0(5) . . . . ?
N3 C4 C5 N7 178.2(7) . . . . ?
N3 C4 C5 C6 -2.8(11) . . . . ?
N7 C5 C6 Cl1 -1.9(14) . . . . ?
N7 C5 C6 N1 179.0(9) . . . . ?
N7 C10 C11 C12 119.5(8) . . . . ?
N7 C10 C11 C16 -63.8(10) . . . . ?
N9 C4 C5 N7 -0.7(8) . . . . ?
N9 C4 C5 C6 178.3(7) . . . . ?
C2 N1 C6 Cl1 -177.9(7) . . . . ?
C2 N1 C6 C5 1.2(13) . . . . ?
C2 N3 C4 N9 -178.2(8) . . . . ?
C2 N3 C4 C5 3.2(11) . . . . ?
C4 N3 C2 N1 -1.3(14) . . . . ?
C4 N9 C8 N7 1.0(9) . . . . ?
C4 C5 C6 Cl1 179.5(6) . . . . ?
C4 C5 C6 N1 0.5(12) . . . . ?
C5 N7 C8 N9 -1.4(9) . . . . ?
C5 N7 C10 C11 -86.3(10) . . . . ?
C6 N1 C2 N3 -0.8(15) . . . . ?
C8 N7 C5 C4 1.2(8) . . . . ?
C8 N7 C5 C6 -177.4(9) . . . . ?
C8 N7 C10 C11 94.8(9) . . . . ?
C8 N9 C4 N3 -178.9(8) . . . . ?
C8 N9 C4 C5 -0.2(8) . . . . ?
C10 N7 C5 C4 -177.9(7) . . . . ?
C10 N7 C5 C6 3.5(15) . . . . ?
C10 N7 C8 N9 177.7(7) . . . . ?
C10 C11 C12 C13 179.5(8) . . . . ?
C10 C11 C16 C15 -178.8(8) . . . . ?
C11 C12 C13 C14 -0.7(14) . . . . ?
C12 C11 C16 C15 -2.0(13) . . . . ?
C12 C13 C14 C15 -2.0(14) . . . . ?
C13 C14 C15 C16 2.7(14) . . . . ?
C14 C15 C16 C11 -0.6(14) . . . . ?
C16 C11 C12 C13 2.7(13) . . . . ?
