data_mo_ch_szw_1_a
_audit_creation_date               2025-10-31
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number       '2014/7'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C24 H12 Br2 N4'
_chemical_formula_sum              'C24 H12 Br2 N4'
_chemical_formula_weight           516.20
_chemical_absolute_configuration   rmad
_chemical_melting_point            ?
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'
 'Br' 'Br' -0.2901 2.4595
 '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'

_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.
;
_space_group_crystal_system        'monoclinic'
_space_group_IT_number             5
_space_group_name_H-M_alt          'C 1 2 1'
_space_group_name_Hall             'C 2y'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z'

_cell_length_a                     20.1346(14)
_cell_length_b                     10.2688(7)
_cell_length_c                     15.6799(9)
_cell_angle_alpha                  90
_cell_angle_beta                   117.915(2)
_cell_angle_gamma                  90
_cell_volume                       2864.7(3)
_cell_formula_units_Z              6
_cell_measurement_reflns_used      8386
_cell_measurement_temperature      256(2)
_cell_measurement_theta_max        24.319
_cell_measurement_theta_min        2.289
_shelx_estimated_absorpt_T_max     0.754
_shelx_estimated_absorpt_T_min     0.294
_exptl_absorpt_coefficient_mu      4.265
_exptl_absorpt_correction_T_max    0.7456
_exptl_absorpt_correction_T_min    0.5307
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1177 before and 0.0853 after correction.
The Ratio of minimum to maximum transmission is 0.7118.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              'clear yellowish yellow'
_exptl_crystal_colour_lustre       clear
_exptl_crystal_colour_modifier     yellowish
_exptl_crystal_colour_primary      yellow
_exptl_crystal_density_diffrn      1.795
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         plate
_exptl_crystal_F_000               1524
_exptl_crystal_size_max            0.38
_exptl_crystal_size_mid            0.08
_exptl_crystal_size_min            0.07
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0933
_diffrn_reflns_av_unetI/netI       0.0643
_diffrn_reflns_Laue_measured_fraction_full  0.997
_diffrn_reflns_Laue_measured_fraction_max  0.995
_diffrn_reflns_limit_h_max         26
_diffrn_reflns_limit_h_min         -26
_diffrn_reflns_limit_k_max         13
_diffrn_reflns_limit_k_min         -13
_diffrn_reflns_limit_l_max         20
_diffrn_reflns_limit_l_min         -19
_diffrn_reflns_number              41535
_diffrn_reflns_point_group_measured_fraction_full  0.997
_diffrn_reflns_point_group_measured_fraction_max  0.994
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           27.495
_diffrn_reflns_theta_min           2.062
_diffrn_ambient_temperature        256.0
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.997
_diffrn_measured_fraction_theta_max  0.995
_diffrn_measurement_device_type    'Bruker APEXIICCD'
_diffrn_measurement_method         ?
_diffrn_radiation_type             MoK\a
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     ?
_diffrn_source_current             1.2
_diffrn_source_power               0.06
_diffrn_source_voltage             50.0
_reflns_Friedel_coverage           0.890
_reflns_Friedel_fraction_full      0.996
_reflns_Friedel_fraction_max       0.992
_reflns_number_gt                  5329
_reflns_number_total               6555
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'SAINT V8.41 (?, 2016)'
_computing_data_collection         ?
_computing_data_reduction          'SAINT V8.41 (?, 2016)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           0.538
_refine_diff_density_min           -0.412
_refine_diff_density_rms           0.067
_refine_ls_abs_structure_details
;
 Flack x determined using 2115 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack     0.020(6)
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.030
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       406
_refine_ls_number_reflns           6555
_refine_ls_number_restraints       1
_refine_ls_R_factor_all            0.0485
_refine_ls_R_factor_gt             0.0325
_refine_ls_restrained_S_all        1.029
_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)+(0.0088P)²+0.4767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0631
_refine_ls_wR_factor_ref           0.0692
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C37(H37), C1(H1), C3(H3), C9(H9), C10(H10), C13(H13), C14(H14), C16(H16),
 C17(H17), C18(H18), C21(H21), C23(H23), C24(H24), C25(H25), C29(H29), C31(H31),
  C32(H32), C36(H36)
;
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
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
 Br1 Br 0.27246(3) 0.67973(5) 0.59981(4) 0.04982(15) Uani 1 1 d . . . . .
 Br2 Br 0.38100(3) 0.94890(6) 0.92380(5) 0.06009(19) Uani 1 1 d . . . . .
 Br3 Br -0.06476(4) -0.08081(5) 0.61517(4) 0.05217(16) Uani 1 1 d . . . . .
 N1 N 0.5550(2) 0.8245(3) 0.8039(2) 0.0290(8) Uani 1 1 d . . . . .
 N2 N 0.5033(2) 0.5299(4) 0.8655(3) 0.0316(8) Uani 1 1 d . . . . .
 N3 N 0.6806(2) 0.8546(4) 0.8634(3) 0.0408(10) Uani 1 1 d . . . . .
 N4 N 0.5887(3) 0.3665(4) 0.9029(3) 0.0432(10) Uani 1 1 d . . . . .
 C37 C 0.0266(3) 0.1174(4) 0.6026(3) 0.0315(10) Uani 1 1 d . . . . .
 H37 H -0.0174 0.1662 0.5772 0.038 Uiso 1 1 calc R U . . .
 N6 N 0.0960(2) 0.2957(4) 0.5777(3) 0.0358(9) Uani 1 1 d . . . . .
 C1 C 0.3332(3) 0.9335(5) 0.6120(3) 0.0429(11) Uani 1 1 d . . . . .
 H1 H 0.2839 0.9585 0.5713 0.052 Uiso 1 1 calc R U . . .
 C2 C 0.3513(3) 0.8034(5) 0.6391(3) 0.0356(11) Uani 1 1 d . . . . .
 C3 C 0.4233(2) 0.7643(4) 0.6981(3) 0.0304(10) Uani 1 1 d . . . . .
 H3 H 0.4344 0.6765 0.7119 0.036 Uiso 1 1 calc R U . . .
 C4 C 0.4799(2) 0.8570(4) 0.7373(3) 0.0281(9) Uani 1 1 d . . . . .
 C5 C 0.5893(2) 0.7073(4) 0.8478(3) 0.0296(9) Uani 1 1 d . . . . .
 C6 C 0.5678(2) 0.5851(5) 0.8679(3) 0.0299(10) Uani 1 1 d . . . . .
 C7 C 0.4432(3) 0.5868(5) 0.8729(3) 0.0335(10) Uani 1 1 d . . . . .
 C8 C 0.3860(3) 0.5028(5) 0.8690(3) 0.0391(12) Uani 1 1 d . . . . .
 C9 C 0.3240(3) 0.5604(6) 0.8725(4) 0.0506(15) Uani 1 1 d . . . . .
 H9 H 0.2843 0.5078 0.8660 0.061 Uiso 1 1 calc R U . . .
 C10 C 0.3204(3) 0.6911(7) 0.8853(3) 0.0489(13) Uani 1 1 d . . . . .
 H10 H 0.2786 0.7272 0.8868 0.059 Uiso 1 1 calc R U . . .
 C11 C 0.6668(3) 0.7270(5) 0.8791(3) 0.0349(11) Uani 1 1 d . . . . .
 C12 C 0.6140(3) 0.9107(5) 0.8194(3) 0.0382(11) Uani 1 1 d . . . . .
 C13 C 0.5965(3) 1.0425(5) 0.7922(4) 0.0472(13) Uani 1 1 d . . . . .
 H13 H 0.6351 1.1028 0.8089 0.057 Uiso 1 1 calc R U . . .
 C14 C 0.5252(3) 1.0813(5) 0.7429(4) 0.0462(13) Uani 1 1 d . . . . .
 H14 H 0.5145 1.1694 0.7297 0.055 Uiso 1 1 calc R U . . .
 C15 C 0.4649(3) 0.9887(4) 0.7100(3) 0.0350(10) Uani 1 1 d . . . . .
 C16 C 0.3907(3) 1.0238(5) 0.6473(4) 0.0449(12) Uani 1 1 d . . . . .
 H16 H 0.3797 1.1104 0.6288 0.054 Uiso 1 1 calc R U . . .
 C17 C 0.7203(3) 0.6277(5) 0.9184(3) 0.0401(12) Uani 1 1 d . . . . .
 H17 H 0.7711 0.6449 0.9404 0.048 Uiso 1 1 calc R U . . .
 C18 C 0.6963(3) 0.5049(5) 0.9235(4) 0.0436(12) Uani 1 1 d . . . . .
 H18 H 0.7302 0.4360 0.9441 0.052 Uiso 1 1 calc R U . . .
 C19 C 0.6204(3) 0.4828(5) 0.8978(3) 0.0368(11) Uani 1 1 d . . . . .
 C20 C 0.5194(3) 0.3956(5) 0.8835(3) 0.0406(12) Uani 1 1 d . . . . .
 C21 C 0.4412(2) 0.7188(5) 0.8903(3) 0.0316(10) Uani 1 1 d . . . . .
 H21 H 0.4808 0.7726 0.8979 0.038 Uiso 1 1 calc R U . . .
 C22 C 0.3803(3) 0.7697(5) 0.8960(3) 0.0405(12) Uani 1 1 d . . . . .
 C23 C 0.3967(3) 0.3644(6) 0.8703(4) 0.0507(14) Uani 1 1 d . . . . .
 H23 H 0.3581 0.3092 0.8645 0.061 Uiso 1 1 calc R U . . .
 C24 C 0.4607(4) 0.3132(5) 0.8798(4) 0.0495(14) Uani 1 1 d . . . . .
 H24 H 0.4672 0.2233 0.8840 0.059 Uiso 1 1 calc R U . . .
 C25 C 0.0928(3) -0.0838(6) 0.6721(3) 0.0492(13) Uani 1 1 d . . . . .
 H25 H 0.0919 -0.1701 0.6896 0.059 Uiso 1 1 calc R U . . .
 C26 C 0.0278(3) -0.0094(5) 0.6326(3) 0.0396(12) Uani 1 1 d . . . . .
 C27 C 0.0931(2) 0.1702(5) 0.6114(3) 0.0332(10) Uani 1 1 d . . . . .
 C28 C 0.0392(3) 0.3880(4) 0.5295(3) 0.0371(11) Uani 1 1 d . . . . .
 C29 C 0.1584(3) -0.0272(6) 0.6849(4) 0.0568(16) Uani 1 1 d . . . . .
 H29 H 0.2026 -0.0754 0.7133 0.068 Uiso 1 1 calc R U . . .
 C30 C 0.1610(3) 0.1006(6) 0.6566(4) 0.0453(13) Uani 1 1 d . . . . .
 C31 C 0.2305(3) 0.1658(8) 0.6791(4) 0.0625(18) Uani 1 1 d . . . . .
 H31 H 0.2752 0.1188 0.7067 0.075 Uiso 1 1 calc R U . . .
 C32 C 0.2321(3) 0.2934(8) 0.6609(4) 0.0654(19) Uani 1 1 d . . . . .
 H32 H 0.2778 0.3348 0.6790 0.078 Uiso 1 1 calc R U . . .
 C33 C 0.1644(3) 0.3649(6) 0.6144(4) 0.0482(14) Uani 1 1 d . . . . .
 N34 N 0.1533(3) 0.4903(5) 0.5978(4) 0.0586(14) Uani 1 1 d . . . . .
 C35 C 0.0775(4) 0.5086(5) 0.5480(4) 0.0492(14) Uani 1 1 d . . . . .
 C36 C 0.0382(4) 0.6271(5) 0.5224(4) 0.0632(18) Uani 1 1 d . . . . .
 H36 H 0.0644 0.7054 0.5359 0.076 Uiso 1 1 calc R U . . .


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
 Br1 C2 1.897(5) . ?
 Br2 C22 1.890(6) . ?
 Br3 C26 1.900(5) . ?
 N1 C4 1.418(5) . ?
 N1 C5 1.399(6) . ?
 N1 C12 1.409(6) . ?
 N2 C6 1.401(6) . ?
 N2 C7 1.396(6) . ?
 N2 C20 1.414(6) . ?
 N3 C11 1.385(6) . ?
 N3 C12 1.319(6) . ?
 N4 C19 1.375(6) . ?
 N4 C20 1.315(7) . ?
 C37 H37 0.9300 . ?
 C37 C26 1.381(7) . ?
 C37 C27 1.390(7) . ?
 N6 C27 1.404(6) . ?
 N6 C28 1.403(6) . ?
 N6 C33 1.411(6) . ?
 C1 H1 0.9300 . ?
 C1 C2 1.397(7) . ?
 C1 C16 1.380(7) . ?
 C2 C3 1.365(6) . ?
 C3 H3 0.9300 . ?
 C3 C4 1.387(6) . ?
 C4 C15 1.408(6) . ?
 C5 C6 1.411(6) . ?
 C5 C11 1.414(6) . ?
 C6 C19 1.408(7) . ?
 C7 C8 1.417(6) . ?
 C7 C21 1.387(7) . ?
 C8 C9 1.406(8) . ?
 C8 C23 1.436(8) . ?
 C9 H9 0.9300 . ?
 C9 C10 1.364(9) . ?
 C10 H10 0.9300 . ?
 C10 C22 1.394(7) . ?
 C11 C17 1.399(7) . ?
 C12 C13 1.414(7) . ?
 C13 H13 0.9300 . ?
 C13 C14 1.334(8) . ?
 C14 H14 0.9300 . ?
 C14 C15 1.435(7) . ?
 C15 C16 1.397(7) . ?
 C16 H16 0.9300 . ?
 C17 H17 0.9300 . ?
 C17 C18 1.366(7) . ?
 C18 H18 0.9300 . ?
 C18 C19 1.404(7) . ?
 C20 C24 1.434(7) . ?
 C21 H21 0.9300 . ?
 C21 C22 1.374(6) . ?
 C23 H23 0.9300 . ?
 C23 C24 1.335(8) . ?
 C24 H24 0.9300 . ?
 C25 H25 0.9300 . ?
 C25 C26 1.386(7) . ?
 C25 C29 1.369(9) . ?
 C27 C30 1.405(7) . ?
 C28 C28 1.407(10) 2_556 ?
 C28 C35 1.416(7) . ?
 C29 H29 0.9300 . ?
 C29 C30 1.394(8) . ?
 C30 C31 1.438(8) . ?
 C31 H31 0.9300 . ?
 C31 C32 1.345(10) . ?
 C32 H32 0.9300 . ?
 C32 C33 1.414(9) . ?
 C33 N34 1.312(8) . ?
 N34 C35 1.362(8) . ?
 C35 C36 1.404(8) . ?
 C36 C36 1.361(13) 2_556 ?
 C36 H36 0.9300 . ?

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
 C5 N1 C4 132.6(4) . . ?
 C5 N1 C12 105.8(4) . . ?
 C12 N1 C4 120.2(4) . . ?
 C6 N2 C20 105.3(4) . . ?
 C7 N2 C6 131.1(4) . . ?
 C7 N2 C20 121.3(4) . . ?
 C12 N3 C11 105.5(4) . . ?
 C20 N4 C19 105.1(4) . . ?
 C26 C37 H37 120.9 . . ?
 C26 C37 C27 118.1(5) . . ?
 C27 C37 H37 120.9 . . ?
 C27 N6 C33 120.8(4) . . ?
 C28 N6 C27 131.0(4) . . ?
 C28 N6 C33 105.9(4) . . ?
 C2 C1 H1 121.0 . . ?
 C16 C1 H1 121.0 . . ?
 C16 C1 C2 118.0(4) . . ?
 C1 C2 Br1 118.8(4) . . ?
 C3 C2 Br1 119.0(4) . . ?
 C3 C2 C1 122.0(4) . . ?
 C2 C3 H3 120.4 . . ?
 C2 C3 C4 119.3(4) . . ?
 C4 C3 H3 120.4 . . ?
 C3 C4 N1 122.4(4) . . ?
 C3 C4 C15 120.6(4) . . ?
 C15 C4 N1 116.9(4) . . ?
 N1 C5 C6 138.0(4) . . ?
 N1 C5 C11 105.0(4) . . ?
 C6 C5 C11 117.1(4) . . ?
 N2 C6 C5 137.0(4) . . ?
 N2 C6 C19 104.6(4) . . ?
 C19 C6 C5 118.4(4) . . ?
 N2 C7 C8 117.4(4) . . ?
 C21 C7 N2 122.1(4) . . ?
 C21 C7 C8 120.4(5) . . ?
 C7 C8 C23 119.3(5) . . ?
 C9 C8 C7 117.4(5) . . ?
 C9 C8 C23 123.1(5) . . ?
 C8 C9 H9 119.0 . . ?
 C10 C9 C8 121.9(5) . . ?
 C10 C9 H9 119.0 . . ?
 C9 C10 H10 120.5 . . ?
 C9 C10 C22 119.0(5) . . ?
 C22 C10 H10 120.5 . . ?
 N3 C11 C5 110.8(4) . . ?
 N3 C11 C17 126.2(4) . . ?
 C17 C11 C5 123.0(4) . . ?
 N1 C12 C13 118.6(4) . . ?
 N3 C12 N1 112.6(4) . . ?
 N3 C12 C13 128.7(4) . . ?
 C12 C13 H13 119.7 . . ?
 C14 C13 C12 120.6(5) . . ?
 C14 C13 H13 119.7 . . ?
 C13 C14 H14 119.6 . . ?
 C13 C14 C15 120.7(5) . . ?
 C15 C14 H14 119.6 . . ?
 C4 C15 C14 120.1(4) . . ?
 C16 C15 C4 117.9(4) . . ?
 C16 C15 C14 121.9(4) . . ?
 C1 C16 C15 121.9(5) . . ?
 C1 C16 H16 119.0 . . ?
 C15 C16 H16 119.0 . . ?
 C11 C17 H17 120.7 . . ?
 C18 C17 C11 118.6(5) . . ?
 C18 C17 H17 120.7 . . ?
 C17 C18 H18 120.0 . . ?
 C17 C18 C19 119.9(5) . . ?
 C19 C18 H18 120.0 . . ?
 N4 C19 C6 111.6(4) . . ?
 N4 C19 C18 126.6(5) . . ?
 C18 C19 C6 121.6(5) . . ?
 N2 C20 C24 117.3(5) . . ?
 N4 C20 N2 112.9(4) . . ?
 N4 C20 C24 129.8(5) . . ?
 C7 C21 H21 120.2 . . ?
 C22 C21 C7 119.5(4) . . ?
 C22 C21 H21 120.2 . . ?
 C10 C22 Br2 120.3(4) . . ?
 C21 C22 Br2 118.3(4) . . ?
 C21 C22 C10 121.4(5) . . ?
 C8 C23 H23 119.3 . . ?
 C24 C23 C8 121.4(5) . . ?
 C24 C23 H23 119.3 . . ?
 C20 C24 H24 119.7 . . ?
 C23 C24 C20 120.5(5) . . ?
 C23 C24 H24 119.7 . . ?
 C26 C25 H25 120.8 . . ?
 C29 C25 H25 120.8 . . ?
 C29 C25 C26 118.4(5) . . ?
 C37 C26 Br3 117.1(4) . . ?
 C37 C26 C25 122.3(5) . . ?
 C25 C26 Br3 120.6(4) . . ?
 C37 C27 N6 121.8(4) . . ?
 C37 C27 C30 121.1(5) . . ?
 N6 C27 C30 117.1(4) . . ?
 N6 C28 C28 137.3(2) . 2_556 ?
 N6 C28 C35 104.6(4) . . ?
 C28 C28 C35 118.1(3) 2_556 . ?
 C25 C29 H29 119.0 . . ?
 C25 C29 C30 122.1(5) . . ?
 C30 C29 H29 119.0 . . ?
 C27 C30 C31 119.5(5) . . ?
 C29 C30 C27 117.8(5) . . ?
 C29 C30 C31 122.5(6) . . ?
 C30 C31 H31 119.4 . . ?
 C32 C31 C30 121.2(6) . . ?
 C32 C31 H31 119.4 . . ?
 C31 C32 H32 119.9 . . ?
 C31 C32 C33 120.2(6) . . ?
 C33 C32 H32 119.9 . . ?
 N6 C33 C32 118.1(6) . . ?
 N34 C33 N6 111.7(5) . . ?
 N34 C33 C32 130.2(6) . . ?
 C33 N34 C35 106.9(5) . . ?
 N34 C35 C28 110.7(5) . . ?
 N34 C35 C36 127.8(5) . . ?
 C36 C35 C28 121.3(5) . . ?
 C35 C36 H36 120.1 . . ?
 C36 C36 C35 119.8(3) 2_556 . ?
 C36 C36 H36 120.1 2_556 . ?

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
 Br1 C2 C3 C4 -171.6(3) . . . . ?
 N1 C4 C15 C14 5.1(6) . . . . ?
 N1 C4 C15 C16 -177.7(4) . . . . ?
 N1 C5 C6 N2 -11.6(9) . . . . ?
 N1 C5 C6 C19 167.3(4) . . . . ?
 N1 C5 C11 N3 5.4(5) . . . . ?
 N1 C5 C11 C17 -173.3(4) . . . . ?
 N1 C12 C13 C14 -7.6(8) . . . . ?
 N2 C6 C19 N4 6.8(5) . . . . ?
 N2 C6 C19 C18 -169.9(4) . . . . ?
 N2 C7 C8 C9 -177.5(4) . . . . ?
 N2 C7 C8 C23 7.9(7) . . . . ?
 N2 C7 C21 C22 179.4(4) . . . . ?
 N2 C20 C24 C23 -7.2(7) . . . . ?
 N3 C11 C17 C18 -176.1(5) . . . . ?
 N3 C12 C13 C14 176.2(5) . . . . ?
 N4 C20 C24 C23 171.6(5) . . . . ?
 C37 C27 C30 C29 5.3(7) . . . . ?
 C37 C27 C30 C31 -169.5(4) . . . . ?
 N6 C27 C30 C29 -175.9(4) . . . . ?
 N6 C27 C30 C31 9.2(6) . . . . ?
 N6 C28 C35 N34 4.5(6) . . . . ?
 N6 C28 C35 C36 -171.2(5) . . . . ?
 N6 C33 N34 C35 -1.3(6) . . . . ?
 C1 C2 C3 C4 4.0(6) . . . . ?
 C2 C1 C16 C15 -1.3(7) . . . . ?
 C2 C3 C4 N1 176.0(4) . . . . ?
 C2 C3 C4 C15 -5.7(6) . . . . ?
 C3 C4 C15 C14 -173.3(4) . . . . ?
 C3 C4 C15 C16 3.9(6) . . . . ?
 C4 N1 C5 C6 -20.4(8) . . . . ?
 C4 N1 C5 C11 160.4(4) . . . . ?
 C4 N1 C12 N3 -164.1(4) . . . . ?
 C4 N1 C12 C13 19.1(6) . . . . ?
 C4 C15 C16 C1 -0.4(7) . . . . ?
 C5 N1 C4 C3 -3.4(7) . . . . ?
 C5 N1 C4 C15 178.2(4) . . . . ?
 C5 N1 C12 N3 3.9(5) . . . . ?
 C5 N1 C12 C13 -172.9(4) . . . . ?
 C5 C6 C19 N4 -172.4(4) . . . . ?
 C5 C6 C19 C18 10.9(7) . . . . ?
 C5 C11 C17 C18 2.5(7) . . . . ?
 C6 N2 C7 C8 -179.2(4) . . . . ?
 C6 N2 C7 C21 -3.6(7) . . . . ?
 C6 N2 C20 N4 4.4(5) . . . . ?
 C6 N2 C20 C24 -176.6(4) . . . . ?
 C6 C5 C11 N3 -174.0(4) . . . . ?
 C6 C5 C11 C17 7.3(7) . . . . ?
 C7 N2 C6 C5 -25.1(8) . . . . ?
 C7 N2 C6 C19 155.9(4) . . . . ?
 C7 N2 C20 N4 -160.0(4) . . . . ?
 C7 N2 C20 C24 18.9(6) . . . . ?
 C7 C8 C9 C10 -4.1(7) . . . . ?
 C7 C8 C23 C24 3.2(8) . . . . ?
 C7 C21 C22 Br2 178.0(3) . . . . ?
 C7 C21 C22 C10 0.4(7) . . . . ?
 C8 C7 C21 C22 -5.2(7) . . . . ?
 C8 C9 C10 C22 -0.6(8) . . . . ?
 C8 C23 C24 C20 -3.5(8) . . . . ?
 C9 C8 C23 C24 -171.0(5) . . . . ?
 C9 C10 C22 Br2 -175.1(4) . . . . ?
 C9 C10 C22 C21 2.5(7) . . . . ?
 C11 N3 C12 N1 -0.5(5) . . . . ?
 C11 N3 C12 C13 175.9(5) . . . . ?
 C11 C5 C6 N2 167.6(5) . . . . ?
 C11 C5 C6 C19 -13.5(6) . . . . ?
 C11 C17 C18 C19 -5.6(7) . . . . ?
 C12 N1 C4 C3 160.8(4) . . . . ?
 C12 N1 C4 C15 -17.6(6) . . . . ?
 C12 N1 C5 C6 173.8(5) . . . . ?
 C12 N1 C5 C11 -5.4(4) . . . . ?
 C12 N3 C11 C5 -3.1(5) . . . . ?
 C12 N3 C11 C17 175.6(4) . . . . ?
 C12 C13 C14 C15 -4.8(8) . . . . ?
 C13 C14 C15 C4 6.0(8) . . . . ?
 C13 C14 C15 C16 -171.0(5) . . . . ?
 C14 C15 C16 C1 176.8(5) . . . . ?
 C16 C1 C2 Br1 175.1(4) . . . . ?
 C16 C1 C2 C3 -0.5(7) . . . . ?
 C17 C18 C19 N4 -177.2(5) . . . . ?
 C17 C18 C19 C6 -1.0(7) . . . . ?
 C19 N4 C20 N2 -0.2(6) . . . . ?
 C19 N4 C20 C24 -179.1(5) . . . . ?
 C20 N2 C6 C5 172.5(5) . . . . ?
 C20 N2 C6 C19 -6.5(4) . . . . ?
 C20 N2 C7 C8 -19.2(6) . . . . ?
 C20 N2 C7 C21 156.3(4) . . . . ?
 C20 N4 C19 C6 -4.2(6) . . . . ?
 C20 N4 C19 C18 172.3(5) . . . . ?
 C21 C7 C8 C9 6.9(7) . . . . ?
 C21 C7 C8 C23 -167.7(5) . . . . ?
 C23 C8 C9 C10 170.3(5) . . . . ?
 C25 C29 C30 C27 -1.7(8) . . . . ?
 C25 C29 C30 C31 173.0(5) . . . . ?
 C26 C37 C27 N6 176.3(4) . . . . ?
 C26 C37 C27 C30 -5.0(6) . . . . ?
 C26 C25 C29 C30 -2.1(8) . . . . ?
 C27 C37 C26 Br3 -177.8(3) . . . . ?
 C27 C37 C26 C25 1.1(7) . . . . ?
 C27 N6 C28 C28 -24.5(10) . . . 2_556 ?
 C27 N6 C28 C35 157.5(4) . . . . ?
 C27 N6 C33 C32 19.9(7) . . . . ?
 C27 N6 C33 N34 -160.6(4) . . . . ?
 C27 C30 C31 C32 2.5(8) . . . . ?
 C28 N6 C27 C37 -2.0(7) . . . . ?
 C28 N6 C27 C30 179.2(4) . . . . ?
 C28 N6 C33 C32 -175.5(4) . . . . ?
 C28 N6 C33 N34 4.1(6) . . . . ?
 C28 C28 C35 N34 -174.0(5) 2_556 . . . ?
 C28 C28 C35 C36 10.4(8) 2_556 . . . ?
 C28 C35 C36 C36 -0.8(10) . . . 2_556 ?
 C29 C25 C26 Br3 -178.8(4) . . . . ?
 C29 C25 C26 C37 2.4(7) . . . . ?
 C29 C30 C31 C32 -172.2(5) . . . . ?
 C30 C31 C32 C33 -3.3(9) . . . . ?
 C31 C32 C33 N6 -7.6(8) . . . . ?
 C31 C32 C33 N34 173.0(6) . . . . ?
 C32 C33 N34 C35 178.2(5) . . . . ?
 C33 N6 C27 C37 158.3(4) . . . . ?
 C33 N6 C27 C30 -20.5(6) . . . . ?
 C33 N6 C28 C28 173.1(7) . . . 2_556 ?
 C33 N6 C28 C35 -5.0(5) . . . . ?
 C33 N34 C35 C28 -2.1(6) . . . . ?
 C33 N34 C35 C36 173.2(5) . . . . ?
 N34 C35 C36 C36 -175.7(7) . . . 2_556 ?


_olex2_submission_special_instructions  'No special instructions were received'
