#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:45:25 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257670 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/96/7059694.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_7059694
loop_
_publ_author_name
'Meerakrishna, Ramakrishnan Suseela'
'Smile, Suresh Snoxma'
'Athira, Mohanakumaran'
'Choutipalli, Venkata Surya Kumar'
'Shanmugam, Ponnusamy'
_publ_section_title
;
 Diverse reactivity of isatin-based N,N′-cyclic azomethine imine
 dipoles with arynes: synthesis of 1′-methyl-2′-oxospiro
 [indene-1,3′-indolines] and 3-aryl-3-pyrazol-2-oxindoles
;
_journal_issue                   27
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              11593
_journal_page_last               11601
_journal_paper_doi               10.1039/D0NJ01684E
_journal_volume                  44
_journal_year                    2020
_chemical_formula_moiety         'C24 H19 N3 O2'
_chemical_formula_sum            'C24 H19 N3 O2'
_chemical_formula_weight         381.42
_chemical_name_systematic        'MKII-249 F3'
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2018-10-23 deposited with the CCDC.	2020-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 104.326(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.1075(9)
_cell_length_b                   15.3568(12)
_cell_length_c                   10.8188(7)
_cell_measurement_reflns_used    3366
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      19.53
_cell_measurement_theta_min      2.35
_cell_volume                     1949.0(2)
_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2004)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT-2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
_diffrn_measurement_method       'ω and φ scan'
_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  0.0763
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            28245
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         2.185
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.7021
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.300
_exptl_crystal_description       block
_exptl_crystal_F_000             800
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: EtOAc/Hexane'
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.144
_refine_diff_density_min         -0.154
_refine_diff_density_rms         0.037
_refine_ls_extinction_coef       0.0049(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     263
_refine_ls_number_reflns         3438
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.1136
_refine_ls_R_factor_gt           0.0437
_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)+(0.0417P)²+0.5235P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0890
_refine_ls_wR_factor_ref         0.1218
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1876
_reflns_number_total             3438
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj01684e2.cif
_cod_data_source_block           249
_cod_depositor_comments
;Adding full bibliography for 7059694--7059695.cif.

 Adding full bibliography for 7059694--7059695.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7059694
_shelx_shelxl_version_number     2014/7
_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_min   0.987
_shelx_estimated_absorpt_t_max   0.992
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
C1 C 0.4923(2) 0.37321(17) 0.3893(2) 0.0552(7) Uani 1 1 d . . . . .
H1 H 0.5675 0.3574 0.3953 0.066 Uiso 1 1 calc R U . . .
C2 C 0.4556(3) 0.38396(18) 0.4986(3) 0.0681(8) Uani 1 1 d . . . . .
H2 H 0.5058 0.3754 0.5779 0.082 Uiso 1 1 calc R U . . .
C3 C 0.3451(3) 0.4072(2) 0.4903(3) 0.0763(9) Uani 1 1 d . . . . .
H3 H 0.3199 0.4144 0.5642 0.092 Uiso 1 1 calc R U . . .
C4 C 0.2719(3) 0.4198(2) 0.3742(3) 0.0773(9) Uani 1 1 d . . . . .
H4 H 0.1968 0.4358 0.3686 0.093 Uiso 1 1 calc R U . . .
C5 C 0.3091(2) 0.40897(19) 0.2649(3) 0.0627(8) Uani 1 1 d . . . . .
H5 H 0.2587 0.4177 0.1858 0.075 Uiso 1 1 calc R U . . .
C6 C 0.4195(2) 0.38550(15) 0.2711(2) 0.0449(6) Uani 1 1 d . . . . .
C7 C 0.45597(19) 0.37129(17) 0.1502(2) 0.0490(7) Uani 1 1 d . . . . .
H7A H 0.4524 0.3095 0.1310 0.059 Uiso 1 1 calc R U . . .
H7B H 0.4026 0.4006 0.0811 0.059 Uiso 1 1 calc R U . . .
C8 C 0.6586(2) 0.34997(18) 0.1498(2) 0.0487(7) Uani 1 1 d . . . . .
C9 C 0.76436(19) 0.40873(15) 0.1537(2) 0.0436(6) Uani 1 1 d . . . . .
C10 C 0.71605(19) 0.49831(16) 0.1628(2) 0.0411(6) Uani 1 1 d . . . . .
C11 C 0.6018(2) 0.49072(16) 0.1617(2) 0.0400(6) Uani 1 1 d . . . . .
C12 C 0.5344(2) 0.56140(17) 0.1680(2) 0.0478(7) Uani 1 1 d . . . . .
H12 H 0.4578 0.5550 0.1674 0.057 Uiso 1 1 calc R U . . .
C13 C 0.5848(2) 0.64233(18) 0.1753(2) 0.0543(7) Uani 1 1 d . . . . .
H13 H 0.5410 0.6916 0.1786 0.065 Uiso 1 1 calc R U . . .
C14 C 0.6980(2) 0.65202(17) 0.1779(2) 0.0545(7) Uani 1 1 d . . . . .
H14 H 0.7300 0.7074 0.1838 0.065 Uiso 1 1 calc R U . . .
C15 C 0.7648(2) 0.57978(17) 0.1718(2) 0.0508(7) Uani 1 1 d . . . . .
H15 H 0.8416 0.5862 0.1737 0.061 Uiso 1 1 calc R U . . .
C16 C 0.7457(2) 0.34924(17) -0.0702(3) 0.0563(7) Uani 1 1 d . . . . .
H17 H 0.6851 0.3110 -0.0759 0.068 Uiso 1 1 calc R U . . .
C17 C 0.7977(2) 0.36717(19) -0.1642(3) 0.0630(8) Uani 1 1 d . . . . .
H18 H 0.7810 0.3443 -0.2464 0.076 Uiso 1 1 calc R U . . .
C18 C 0.8807(2) 0.42667(18) -0.1115(3) 0.0529(7) Uani 1 1 d . . . . .
C19 C 0.8631(3) 0.4139(2) 0.3869(3) 0.0776(9) Uani 1 1 d . . . . .
H25 H 0.8106 0.4561 0.3966 0.093 Uiso 1 1 calc R U . . .
C20 C 0.8593(2) 0.38153(16) 0.2680(2) 0.0483(7) Uani 1 1 d . . . . .
C21 C 0.9369(2) 0.31938(19) 0.2559(3) 0.0684(8) Uani 1 1 d . . . . .
H21 H 0.9356 0.2962 0.1761 0.082 Uiso 1 1 calc R U . . .
C22 C 1.0173(3) 0.2911(2) 0.3628(4) 0.0888(11) Uani 1 1 d . . . . .
H22 H 1.0698 0.2488 0.3540 0.107 Uiso 1 1 calc R U . . .
C23 C 1.0207(3) 0.3238(3) 0.4796(4) 0.0916(11) Uani 1 1 d . . . . .
H23 H 1.0757 0.3045 0.5504 0.110 Uiso 1 1 calc R U . . .
C24 C 0.9439(3) 0.3848(3) 0.4932(3) 0.0952(11) Uani 1 1 d . . . . .
H24 H 0.9454 0.4071 0.5735 0.114 Uiso 1 1 calc R U . . .
N1 N 0.57013(16) 0.40239(13) 0.15516(17) 0.0430(5) Uani 1 1 d . . . . .
N2 N 0.79657(16) 0.39615(13) 0.03276(19) 0.0492(6) Uani 1 1 d . . . . .
N3 N 0.88156(17) 0.44646(14) 0.00771(19) 0.0524(6) Uani 1 1 d . . . . .
O1 O 0.65596(14) 0.27130(12) 0.14334(18) 0.0672(6) Uani 1 1 d . . . . .
O2 O 0.95378(15) 0.46238(13) -0.17185(16) 0.0730(6) Uani 1 1 d . . . . .
H2A H 1.0023 0.4901 -0.1207 0.088 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'
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
C2 C1 C6 121.1(3) . . ?
C2 C1 H1 119.5 . . ?
C6 C1 H1 119.5 . . ?
C3 C2 C1 119.7(3) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C4 C3 C2 120.1(3) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.0(3) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.9(3) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C1 118.3(2) . . ?
C5 C6 C7 119.4(2) . . ?
C1 C6 C7 122.3(2) . . ?
N1 C7 C6 113.83(19) . . ?
N1 C7 H7A 108.8 . . ?
C6 C7 H7A 108.8 . . ?
N1 C7 H7B 108.8 . . ?
C6 C7 H7B 108.8 . . ?
H7A C7 H7B 107.7 . . ?
O1 C8 N1 125.9(2) . . ?
O1 C8 C9 126.1(2) . . ?
N1 C8 C9 108.0(2) . . ?
N2 C9 C10 111.82(19) . . ?
N2 C9 C20 111.97(19) . . ?
C10 C9 C20 115.07(19) . . ?
N2 C9 C8 107.31(18) . . ?
C10 C9 C8 101.57(19) . . ?
C20 C9 C8 108.24(19) . . ?
C15 C10 C11 119.2(2) . . ?
C15 C10 C9 131.9(2) . . ?
C11 C10 C9 109.0(2) . . ?
C12 C11 C10 122.6(2) . . ?
C12 C11 N1 127.4(2) . . ?
C10 C11 N1 109.9(2) . . ?
C11 C12 C13 117.1(2) . . ?
C11 C12 H12 121.4 . . ?
C13 C12 H12 121.4 . . ?
C14 C13 C12 121.7(2) . . ?
C14 C13 H13 119.2 . . ?
C12 C13 H13 119.2 . . ?
C13 C14 C15 120.3(2) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C10 C15 C14 119.1(2) . . ?
C10 C15 H15 120.5 . . ?
C14 C15 H15 120.5 . . ?
N2 C16 C17 108.2(2) . . ?
N2 C16 H17 125.9 . . ?
C17 C16 H17 125.9 . . ?
C16 C17 C18 104.6(2) . . ?
C16 C17 H18 127.7 . . ?
C18 C17 H18 127.7 . . ?
N3 C18 O2 122.3(2) . . ?
N3 C18 C17 112.7(2) . . ?
O2 C18 C17 125.0(2) . . ?
C20 C19 C24 120.9(3) . . ?
C20 C19 H25 119.5 . . ?
C24 C19 H25 119.5 . . ?
C21 C20 C19 118.7(2) . . ?
C21 C20 C9 120.7(2) . . ?
C19 C20 C9 120.4(2) . . ?
C20 C21 C22 119.8(3) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C23 C22 C21 121.2(3) . . ?
C23 C22 H22 119.4 . . ?
C21 C22 H22 119.4 . . ?
C22 C23 C24 119.7(3) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C23 C24 C19 119.8(3) . . ?
C23 C24 H24 120.1 . . ?
C19 C24 H24 120.1 . . ?
C8 N1 C11 111.5(2) . . ?
C8 N1 C7 124.0(2) . . ?
C11 N1 C7 124.4(2) . . ?
C16 N2 N3 110.6(2) . . ?
C16 N2 C9 130.0(2) . . ?
N3 N2 C9 118.80(18) . . ?
C18 N3 N2 103.83(19) . . ?
C18 O2 H2A 109.5 . . ?
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
C1 C2 1.371(3) . ?
C1 C6 1.375(3) . ?
C1 H1 0.9300 . ?
C2 C3 1.366(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.361(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.375(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.370(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.496(3) . ?
C7 N1 1.451(3) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 O1 1.210(3) . ?
C8 N1 1.353(3) . ?
C8 C9 1.559(3) . ?
C9 N2 1.467(3) . ?
C9 C10 1.508(3) . ?
C9 C20 1.524(3) . ?
C10 C15 1.377(3) . ?
C10 C11 1.385(3) . ?
C11 C12 1.370(3) . ?
C11 N1 1.407(3) . ?
C12 C13 1.378(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.372(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.384(3) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 N2 1.342(3) . ?
C16 C17 1.350(3) . ?
C16 H17 0.9300 . ?
C17 C18 1.374(3) . ?
C17 H18 0.9300 . ?
C18 N3 1.323(3) . ?
C18 O2 1.340(3) . ?
C19 C20 1.370(4) . ?
C19 C24 1.387(4) . ?
C19 H25 0.9300 . ?
C20 C21 1.368(3) . ?
C21 C22 1.385(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.351(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.354(5) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
N2 N3 1.366(3) . ?
O2 H2A 0.8200 . ?
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
C16 H17 O1 0.93 2.56 3.032(4) 112.2 .
C17 H18 O1 0.93 2.44 3.167(3) 134.6 4_565
O2 H2A N3 0.82 1.89 2.708(3) 177.5 3_765
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
C6 C1 C2 C3 0.0(4) . . . . ?
C1 C2 C3 C4 -0.1(5) . . . . ?
C2 C3 C4 C5 0.1(5) . . . . ?
C3 C4 C5 C6 0.0(5) . . . . ?
C4 C5 C6 C1 -0.1(4) . . . . ?
C4 C5 C6 C7 177.9(3) . . . . ?
C2 C1 C6 C5 0.1(4) . . . . ?
C2 C1 C6 C7 -177.9(2) . . . . ?
C5 C6 C7 N1 141.8(2) . . . . ?
C1 C6 C7 N1 -40.3(3) . . . . ?
O1 C8 C9 N2 63.1(3) . . . . ?
N1 C8 C9 N2 -117.0(2) . . . . ?
O1 C8 C9 C10 -179.4(2) . . . . ?
N1 C8 C9 C10 0.4(2) . . . . ?
O1 C8 C9 C20 -57.9(3) . . . . ?
N1 C8 C9 C20 121.9(2) . . . . ?
N2 C9 C10 C15 -67.0(3) . . . . ?
C20 C9 C10 C15 62.2(3) . . . . ?
C8 C9 C10 C15 178.8(2) . . . . ?
N2 C9 C10 C11 113.2(2) . . . . ?
C20 C9 C10 C11 -117.6(2) . . . . ?
C8 C9 C10 C11 -1.0(2) . . . . ?
C15 C10 C11 C12 0.6(3) . . . . ?
C9 C10 C11 C12 -179.6(2) . . . . ?
C15 C10 C11 N1 -178.61(19) . . . . ?
C9 C10 C11 N1 1.2(2) . . . . ?
C10 C11 C12 C13 0.2(3) . . . . ?
N1 C11 C12 C13 179.2(2) . . . . ?
C11 C12 C13 C14 -0.8(3) . . . . ?
C12 C13 C14 C15 0.7(4) . . . . ?
C11 C10 C15 C14 -0.7(3) . . . . ?
C9 C10 C15 C14 179.5(2) . . . . ?
C13 C14 C15 C10 0.1(4) . . . . ?
N2 C16 C17 C18 -0.1(3) . . . . ?
C16 C17 C18 N3 -0.6(3) . . . . ?
C16 C17 C18 O2 179.8(2) . . . . ?
C24 C19 C20 C21 0.2(4) . . . . ?
C24 C19 C20 C9 175.2(3) . . . . ?
N2 C9 C20 C21 -27.2(3) . . . . ?
C10 C9 C20 C21 -156.4(2) . . . . ?
C8 C9 C20 C21 90.9(3) . . . . ?
N2 C9 C20 C19 158.0(2) . . . . ?
C10 C9 C20 C19 28.8(3) . . . . ?
C8 C9 C20 C19 -83.9(3) . . . . ?
C19 C20 C21 C22 -0.4(4) . . . . ?
C9 C20 C21 C22 -175.3(3) . . . . ?
C20 C21 C22 C23 0.0(5) . . . . ?
C21 C22 C23 C24 0.5(5) . . . . ?
C22 C23 C24 C19 -0.7(5) . . . . ?
C20 C19 C24 C23 0.3(5) . . . . ?
O1 C8 N1 C11 -179.8(2) . . . . ?
C9 C8 N1 C11 0.3(2) . . . . ?
O1 C8 N1 C7 -1.9(4) . . . . ?
C9 C8 N1 C7 178.26(19) . . . . ?
C12 C11 N1 C8 179.9(2) . . . . ?
C10 C11 N1 C8 -1.0(2) . . . . ?
C12 C11 N1 C7 1.9(3) . . . . ?
C10 C11 N1 C7 -178.93(19) . . . . ?
C6 C7 N1 C8 113.8(3) . . . . ?
C6 C7 N1 C11 -68.5(3) . . . . ?
C17 C16 N2 N3 0.8(3) . . . . ?
C17 C16 N2 C9 171.6(2) . . . . ?
C10 C9 N2 C16 -106.3(3) . . . . ?
C20 C9 N2 C16 122.9(3) . . . . ?
C8 C9 N2 C16 4.2(3) . . . . ?
C10 C9 N2 N3 63.9(3) . . . . ?
C20 C9 N2 N3 -67.0(3) . . . . ?
C8 C9 N2 N3 174.41(19) . . . . ?
O2 C18 N3 N2 -179.3(2) . . . . ?
C17 C18 N3 N2 1.1(3) . . . . ?
C16 N2 N3 C18 -1.2(3) . . . . ?
C9 N2 N3 C18 -173.1(2) . . . . ?
