#------------------------------------------------------------------------------
#$Date: 2020-10-06 12:45:25 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257670 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/05/96/7059695.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_7059695
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_sum            'C25 H21 N3 O2'
_chemical_formula_weight         395.45
_chemical_name_systematic        'MKII-293 P1'
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-02-09 deposited with the CCDC.	2020-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 109.4463(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.7600(3)
_cell_length_b                   23.4233(8)
_cell_length_c                   10.4245(3)
_cell_measurement_reflns_used    6053
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.58
_cell_measurement_theta_min      2.61
_cell_volume                     2016.96(12)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            13151
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.998
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         1.739
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.302
_exptl_crystal_description       Block
_exptl_crystal_F_000             832
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: EtOAc/Hexane'
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.178
_refine_diff_density_min         -0.145
_refine_diff_density_rms         0.033
_refine_ls_extinction_coef       0.0053(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   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3559
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0564
_refine_ls_R_factor_gt           0.0422
_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)+(0.0341P)²+0.7616P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0907
_refine_ls_wR_factor_ref         0.0992
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2858
_reflns_number_total             3559
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj01684e2.cif
_cod_data_source_block           293p1
_cod_depositor_comments
;Adding full bibliography for 7059694--7059695.cif.

 Adding full bibliography for 7059694--7059695.cif.
;
_cod_original_cell_volume        2016.96(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7059695
_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   0.979
_shelx_estimated_absorpt_t_max   0.992
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_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 0.77866(19) 0.08179(7) 0.52497(16) 0.0319(4) Uani 1 1 d . . . . .
C2 C 0.6628(2) 0.07597(8) 0.58615(19) 0.0407(4) Uani 1 1 d . . . . .
H2 H 0.5550 0.0847 0.5392 0.049 Uiso 1 1 calc R U . . .
C3 C 0.7100(2) 0.05680(8) 0.7189(2) 0.0502(5) Uani 1 1 d . . . . .
H3 H 0.6332 0.0524 0.7619 0.060 Uiso 1 1 calc R U . . .
C4 C 0.8699(3) 0.04418(9) 0.7881(2) 0.0531(5) Uani 1 1 d . . . . .
H4 H 0.8993 0.0322 0.8781 0.064 Uiso 1 1 calc R U . . .
C5 C 0.9881(2) 0.04875(8) 0.72766(19) 0.0463(5) Uani 1 1 d . . . . .
H5 H 1.0956 0.0395 0.7743 0.056 Uiso 1 1 calc R U . . .
C6 C 0.93908(19) 0.06771(7) 0.59528(17) 0.0348(4) Uani 1 1 d . . . . .
C7 C 1.1861(2) 0.08491(8) 0.5232(2) 0.0452(5) Uani 1 1 d . . . . .
C8 C 1.1872(2) 0.10075(9) 0.3836(2) 0.0516(5) Uani 1 1 d . . . . .
H8A H 1.2146 0.0680 0.3385 0.062 Uiso 1 1 calc R U . . .
H8B H 1.2646 0.1310 0.3887 0.062 Uiso 1 1 calc R U . . .
C9 C 1.0144(2) 0.12094(8) 0.30770(19) 0.0440(5) Uani 1 1 d . . . . .
H9 H 1.0036 0.1613 0.3278 0.053 Uiso 1 1 calc R U . . .
C10 C 0.76997(18) 0.10892(7) 0.39006(16) 0.0304(4) Uani 1 1 d . . . . .
C11 C 0.76906(18) 0.17471(7) 0.41052(15) 0.0294(4) Uani 1 1 d . . . . .
C12 C 0.54145(18) 0.15219(7) 0.23317(15) 0.0303(4) Uani 1 1 d . . . . .
C13 C 0.3981(2) 0.15771(8) 0.12660(17) 0.0397(4) Uani 1 1 d . . . . .
H13 H 0.3458 0.1927 0.1045 0.048 Uiso 1 1 calc R U . . .
C14 C 0.3353(2) 0.10848(9) 0.05379(18) 0.0467(5) Uani 1 1 d . . . . .
H14 H 0.2395 0.1106 -0.0197 0.056 Uiso 1 1 calc R U . . .
C15 C 0.4118(2) 0.05650(8) 0.08804(19) 0.0479(5) Uani 1 1 d . . . . .
H15 H 0.3672 0.0243 0.0372 0.057 Uiso 1 1 calc R U . . .
C16 C 0.5546(2) 0.05160(8) 0.19752(18) 0.0408(4) Uani 1 1 d . . . . .
H16 H 0.6053 0.0164 0.2215 0.049 Uiso 1 1 calc R U . . .
C17 C 0.61911(18) 0.10009(7) 0.26943(16) 0.0308(4) Uani 1 1 d . . . . .
C18 C 0.5807(2) 0.25530(7) 0.31575(17) 0.0357(4) Uani 1 1 d . . . . .
H18A H 0.5451 0.2692 0.2228 0.043 Uiso 1 1 calc R U . . .
H18B H 0.6722 0.2783 0.3683 0.043 Uiso 1 1 calc R U . . .
C19 C 0.4446(2) 0.26222(7) 0.37354(17) 0.0350(4) Uani 1 1 d . . . . .
C20 C 0.3156(2) 0.29721(9) 0.3099(2) 0.0515(5) Uani 1 1 d . . . . .
H20 H 0.3140 0.3173 0.2326 0.062 Uiso 1 1 calc R U . . .
C21 C 0.1884(3) 0.30286(10) 0.3594(2) 0.0638(6) Uani 1 1 d . . . . .
H21 H 0.1019 0.3267 0.3154 0.077 Uiso 1 1 calc R U . . .
C22 C 0.1893(3) 0.27351(10) 0.4727(3) 0.0651(7) Uani 1 1 d . . . . .
H22 H 0.1025 0.2765 0.5048 0.078 Uiso 1 1 calc R U . . .
C23 C 0.3185(3) 0.23965(11) 0.5388(3) 0.0765(8) Uani 1 1 d . . . . .
H23 H 0.3207 0.2202 0.6171 0.092 Uiso 1 1 calc R U . . .
C24 C 0.4458(3) 0.23419(9) 0.4898(2) 0.0601(6) Uani 1 1 d . . . . .
H24 H 0.5336 0.2113 0.5359 0.072 Uiso 1 1 calc R U . . .
C25 C 0.9559(3) 0.11185(10) 0.1555(2) 0.0630(6) Uani 1 1 d . . . . .
H25A H 0.9717 0.0727 0.1362 0.095 Uiso 1 1 calc R U . . .
H25B H 1.0160 0.1360 0.1152 0.095 Uiso 1 1 calc R U . . .
H25C H 0.8429 0.1211 0.1186 0.095 Uiso 1 1 calc R U . . .
N1 N 1.02851(16) 0.07625(6) 0.50878(14) 0.0381(4) Uani 1 1 d . . . . .
N2 N 0.91904(16) 0.08531(6) 0.37188(14) 0.0347(3) Uani 1 1 d . . . . .
N3 N 0.63225(15) 0.19607(6) 0.31759(13) 0.0318(3) Uani 1 1 d . . . . .
O1 O 1.29880(15) 0.07946(7) 0.62916(15) 0.0681(5) Uani 1 1 d . . . . .
O2 O 0.87001(13) 0.20232(5) 0.49703(12) 0.0400(3) 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'
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 120.34(15) . . ?
C2 C1 C10 130.77(15) . . ?
C6 C1 C10 108.47(14) . . ?
C1 C2 C3 118.44(17) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C4 C3 C2 120.53(18) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 121.97(18) . . ?
C3 C4 H4 119.0 . . ?
C5 C4 H4 119.0 . . ?
C6 C5 C4 116.79(17) . . ?
C6 C5 H5 121.6 . . ?
C4 C5 H5 121.6 . . ?
C5 C6 C1 121.90(16) . . ?
C5 C6 N1 129.89(16) . . ?
C1 C6 N1 108.20(14) . . ?
O1 C7 N1 124.97(18) . . ?
O1 C7 C8 129.68(17) . . ?
N1 C7 C8 105.34(15) . . ?
C7 C8 C9 104.60(14) . . ?
C7 C8 H8A 110.8 . . ?
C9 C8 H8A 110.8 . . ?
C7 C8 H8B 110.8 . . ?
C9 C8 H8B 110.8 . . ?
H8A C8 H8B 108.9 . . ?
N2 C9 C25 110.38(16) . . ?
N2 C9 C8 101.60(14) . . ?
C25 C9 C8 115.47(16) . . ?
N2 C9 H9 109.7 . . ?
C25 C9 H9 109.7 . . ?
C8 C9 H9 109.7 . . ?
N2 C10 C17 113.99(13) . . ?
N2 C10 C1 100.76(12) . . ?
C17 C10 C1 118.34(13) . . ?
N2 C10 C11 115.49(13) . . ?
C17 C10 C11 101.97(12) . . ?
C1 C10 C11 106.72(13) . . ?
O2 C11 N3 125.60(15) . . ?
O2 C11 C10 126.30(14) . . ?
N3 C11 C10 108.07(13) . . ?
C13 C12 C17 122.34(15) . . ?
C13 C12 N3 127.34(15) . . ?
C17 C12 N3 110.30(13) . . ?
C12 C13 C14 116.83(16) . . ?
C12 C13 H13 121.6 . . ?
C14 C13 H13 121.6 . . ?
C15 C14 C13 121.45(16) . . ?
C15 C14 H14 119.3 . . ?
C13 C14 H14 119.3 . . ?
C14 C15 C16 120.85(17) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 H15 119.6 . . ?
C17 C16 C15 118.30(17) . . ?
C17 C16 H16 120.9 . . ?
C15 C16 H16 120.9 . . ?
C16 C17 C12 120.21(15) . . ?
C16 C17 C10 131.03(15) . . ?
C12 C17 C10 108.76(14) . . ?
N3 C18 C19 112.25(13) . . ?
N3 C18 H18A 109.2 . . ?
C19 C18 H18A 109.2 . . ?
N3 C18 H18B 109.2 . . ?
C19 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C20 C19 C24 118.28(18) . . ?
C20 C19 C18 120.12(16) . . ?
C24 C19 C18 121.60(16) . . ?
C19 C20 C21 120.8(2) . . ?
C19 C20 H20 119.6 . . ?
C21 C20 H20 119.6 . . ?
C22 C21 C20 120.1(2) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 119.6(2) . . ?
C21 C22 H22 120.2 . . ?
C23 C22 H22 120.2 . . ?
C22 C23 C24 120.2(2) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C19 C24 C23 120.8(2) . . ?
C19 C24 H24 119.6 . . ?
C23 C24 H24 119.6 . . ?
C9 C25 H25A 109.5 . . ?
C9 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C9 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C7 N1 C6 136.32(15) . . ?
C7 N1 N2 113.85(14) . . ?
C6 N1 N2 109.22(12) . . ?
N1 N2 C10 104.53(12) . . ?
N1 N2 C9 103.83(12) . . ?
C10 N2 C9 119.80(13) . . ?
C11 N3 C12 110.82(13) . . ?
C11 N3 C18 123.72(13) . . ?
C12 N3 C18 125.21(13) . . ?
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 1.374(2) . ?
C1 C6 1.391(2) . ?
C1 C10 1.522(2) . ?
C2 C3 1.381(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.377(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.384(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.375(2) . ?
C5 H5 0.9300 . ?
C6 N1 1.392(2) . ?
C7 O1 1.219(2) . ?
C7 N1 1.353(2) . ?
C7 C8 1.505(3) . ?
C8 C9 1.531(2) . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 N2 1.488(2) . ?
C9 C25 1.511(3) . ?
C9 H9 0.9800 . ?
C10 N2 1.487(2) . ?
C10 C17 1.505(2) . ?
C10 C11 1.556(2) . ?
C11 O2 1.2177(18) . ?
C11 N3 1.361(2) . ?
C12 C13 1.378(2) . ?
C12 C17 1.387(2) . ?
C12 N3 1.413(2) . ?
C13 C14 1.389(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.378(3) . ?
C14 H14 0.9300 . ?
C15 C16 1.389(3) . ?
C15 H15 0.9300 . ?
C16 C17 1.374(2) . ?
C16 H16 0.9300 . ?
C18 N3 1.457(2) . ?
C18 C19 1.513(2) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.374(2) . ?
C19 C24 1.375(3) . ?
C20 C21 1.382(3) . ?
C20 H20 0.9300 . ?
C21 C22 1.364(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.366(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.378(3) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
N1 N2 1.4457(19) . ?
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 1.0(3) . . . . ?
C10 C1 C2 C3 -170.61(17) . . . . ?
C1 C2 C3 C4 0.4(3) . . . . ?
C2 C3 C4 C5 -1.5(3) . . . . ?
C3 C4 C5 C6 1.3(3) . . . . ?
C4 C5 C6 C1 0.1(3) . . . . ?
C4 C5 C6 N1 -179.62(18) . . . . ?
C2 C1 C6 C5 -1.3(3) . . . . ?
C10 C1 C6 C5 172.05(16) . . . . ?
C2 C1 C6 N1 178.52(15) . . . . ?
C10 C1 C6 N1 -8.16(18) . . . . ?
O1 C7 C8 C9 -160.7(2) . . . . ?
N1 C7 C8 C9 20.4(2) . . . . ?
C7 C8 C9 N2 -31.40(19) . . . . ?
C7 C8 C9 C25 -150.85(18) . . . . ?
C2 C1 C10 N2 -164.36(17) . . . . ?
C6 C1 C10 N2 23.26(16) . . . . ?
C2 C1 C10 C17 -39.4(3) . . . . ?
C6 C1 C10 C17 148.21(15) . . . . ?
C2 C1 C10 C11 74.7(2) . . . . ?
C6 C1 C10 C11 -97.70(15) . . . . ?
N2 C10 C11 O2 -55.2(2) . . . . ?
C17 C10 C11 O2 -179.38(15) . . . . ?
C1 C10 C11 O2 55.8(2) . . . . ?
N2 C10 C11 N3 126.89(14) . . . . ?
C17 C10 C11 N3 2.72(16) . . . . ?
C1 C10 C11 N3 -122.07(13) . . . . ?
C17 C12 C13 C14 -1.4(3) . . . . ?
N3 C12 C13 C14 176.86(16) . . . . ?
C12 C13 C14 C15 0.9(3) . . . . ?
C13 C14 C15 C16 0.3(3) . . . . ?
C14 C15 C16 C17 -1.0(3) . . . . ?
C15 C16 C17 C12 0.6(3) . . . . ?
C15 C16 C17 C10 -179.47(17) . . . . ?
C13 C12 C17 C16 0.7(2) . . . . ?
N3 C12 C17 C16 -177.84(15) . . . . ?
C13 C12 C17 C10 -179.26(15) . . . . ?
N3 C12 C17 C10 2.18(18) . . . . ?
N2 C10 C17 C16 52.0(2) . . . . ?
C1 C10 C17 C16 -66.2(2) . . . . ?
C11 C10 C17 C16 177.12(17) . . . . ?
N2 C10 C17 C12 -128.07(14) . . . . ?
C1 C10 C17 C12 113.75(16) . . . . ?
C11 C10 C17 C12 -2.91(16) . . . . ?
N3 C18 C19 C20 -136.99(17) . . . . ?
N3 C18 C19 C24 43.1(2) . . . . ?
C24 C19 C20 C21 -1.7(3) . . . . ?
C18 C19 C20 C21 178.34(18) . . . . ?
C19 C20 C21 C22 -0.1(3) . . . . ?
C20 C21 C22 C23 1.6(3) . . . . ?
C21 C22 C23 C24 -1.4(4) . . . . ?
C20 C19 C24 C23 2.0(3) . . . . ?
C18 C19 C24 C23 -178.1(2) . . . . ?
C22 C23 C24 C19 -0.5(4) . . . . ?
O1 C7 N1 C6 10.6(3) . . . . ?
C8 C7 N1 C6 -170.44(19) . . . . ?
O1 C7 N1 N2 -179.64(18) . . . . ?
C8 C7 N1 N2 -0.7(2) . . . . ?
C5 C6 N1 C7 -21.5(3) . . . . ?
C1 C6 N1 C7 158.7(2) . . . . ?
C5 C6 N1 N2 168.43(18) . . . . ?
C1 C6 N1 N2 -11.34(18) . . . . ?
C7 N1 N2 C10 -146.15(15) . . . . ?
C6 N1 N2 C10 26.34(17) . . . . ?
C7 N1 N2 C9 -19.82(18) . . . . ?
C6 N1 N2 C9 152.67(14) . . . . ?
C17 C10 N2 N1 -156.69(13) . . . . ?
C1 C10 N2 N1 -28.85(15) . . . . ?
C11 C10 N2 N1 85.67(15) . . . . ?
C17 C10 N2 C9 87.65(18) . . . . ?
C1 C10 N2 C9 -144.51(14) . . . . ?
C11 C10 N2 C9 -30.0(2) . . . . ?
C25 C9 N2 N1 153.42(15) . . . . ?
C8 C9 N2 N1 30.42(16) . . . . ?
C25 C9 N2 C10 -90.56(18) . . . . ?
C8 C9 N2 C10 146.44(14) . . . . ?
O2 C11 N3 C12 -179.52(15) . . . . ?
C10 C11 N3 C12 -1.60(17) . . . . ?
O2 C11 N3 C18 -5.1(2) . . . . ?
C10 C11 N3 C18 172.86(13) . . . . ?
C13 C12 N3 C11 -178.80(16) . . . . ?
C17 C12 N3 C11 -0.33(18) . . . . ?
C13 C12 N3 C18 6.8(3) . . . . ?
C17 C12 N3 C18 -174.69(14) . . . . ?
C19 C18 N3 C11 -102.73(17) . . . . ?
C19 C18 N3 C12 70.92(19) . . . . ?
