data_mo_ch_szw_300_3_a
_audit_creation_date               2025-09-30
_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, C H2 Cl2'
_chemical_formula_sum              'C25 H14 Br2 Cl2 N4'
_chemical_formula_weight           601.12
_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'
 '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'

_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             14
_space_group_name_H-M_alt          'P 1 21/n 1'
_space_group_name_Hall             '-P 2yn'
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'

_cell_length_a                     10.1623(10)
_cell_length_b                     11.5407(9)
_cell_length_c                     18.8777(18)
_cell_angle_alpha                  90
_cell_angle_beta                   94.138(4)
_cell_angle_gamma                  90
_cell_volume                       2208.2(3)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      9281
_cell_measurement_temperature      251(2)
_cell_measurement_theta_max        26.951
_cell_measurement_theta_min        2.212
_shelx_estimated_absorpt_T_max     0.629
_shelx_estimated_absorpt_T_min     0.324
_exptl_absorpt_coefficient_mu      3.936
_exptl_absorpt_correction_T_max    0.7456
_exptl_absorpt_correction_T_min    0.4897
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1093 before and 0.0789 after correction.
The Ratio of minimum to maximum transmission is 0.6568.
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      1.808
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               1184
_exptl_crystal_size_max            0.37
_exptl_crystal_size_mid            0.18
_exptl_crystal_size_min            0.13
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0983
_diffrn_reflns_av_unetI/netI       0.0532
_diffrn_reflns_Laue_measured_fraction_full  0.989
_diffrn_reflns_Laue_measured_fraction_max  0.983
_diffrn_reflns_limit_h_max         13
_diffrn_reflns_limit_h_min         -13
_diffrn_reflns_limit_k_max         14
_diffrn_reflns_limit_k_min         -14
_diffrn_reflns_limit_l_max         24
_diffrn_reflns_limit_l_min         -24
_diffrn_reflns_number              50346
_diffrn_reflns_point_group_measured_fraction_full  0.989
_diffrn_reflns_point_group_measured_fraction_max  0.983
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           27.488
_diffrn_reflns_theta_min           2.070
_diffrn_ambient_temperature        251.0
_diffrn_detector_area_resol_mean   ?
_diffrn_measured_fraction_theta_full  0.989
_diffrn_measured_fraction_theta_max  0.983
_diffrn_measurement_device_type    'Bruker APEX-IICCD'
_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           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  3796
_reflns_number_total               4977
_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           0.455
_refine_diff_density_min           -0.523
_refine_diff_density_rms           0.077
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.013
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       298
_refine_ls_number_reflns           4977
_refine_ls_number_restraints       0
_refine_ls_R_factor_all            0.0501
_refine_ls_R_factor_gt             0.0315
_refine_ls_restrained_S_all        1.013
_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)+(0.0045P)²+1.7217P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0673
_refine_ls_wR_factor_ref           0.0757
_refine_special_details            ?
_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:
 C26(H26A,H26B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C3(H3), C8(H8), C10(H10), C14(H14), C15(H15), C17(H17), C18(H18),
 C19(H19), C22(H22), C24(H24), C25(H25)
;
_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 -0.00143(3) 0.45467(3) 0.13235(2) 0.04822(10) Uani 1 1 d . . . . .
 Br2 Br 0.24115(3) 0.04633(2) 0.07758(2) 0.04208(9) Uani 1 1 d . . . . .
 Cl1 Cl 0.05360(8) 0.53363(8) 0.69137(4) 0.0562(2) Uani 1 1 d . . . . .
 Cl2 Cl 0.11533(7) 0.41707(6) 0.56087(3) 0.04316(17) Uani 1 1 d . . . . .
 N1 N 0.4331(2) 0.29299(17) 0.26820(11) 0.0312(5) Uani 1 1 d . . . . .
 N2 N 0.14346(19) 0.19216(16) 0.33374(10) 0.0278(4) Uani 1 1 d . . . . .
 N3 N 0.1353(2) 0.20045(18) 0.45335(11) 0.0374(5) Uani 1 1 d . . . . .
 C1 C 0.2496(3) 0.4220(2) 0.07819(14) 0.0445(7) Uani 1 1 d . . . . .
 H1 H 0.2081 0.4475 0.0349 0.053 Uiso 1 1 calc R U . . .
 C2 C 0.1789(3) 0.4104(2) 0.13817(14) 0.0363(6) Uani 1 1 d . . . . .
 C3 C 0.2355(3) 0.3696(2) 0.20201(13) 0.0310(5) Uani 1 1 d . . . . .
 H3 H 0.1859 0.3636 0.2420 0.037 Uiso 1 1 calc R U . . .
 C4 C 0.3679(3) 0.3377(2) 0.20569(13) 0.0311(5) Uani 1 1 d . . . . .
 C5 C 0.3874(2) 0.2640(2) 0.33446(13) 0.0302(5) Uani 1 1 d . . . . .
 C6 C 0.2688(2) 0.2265(2) 0.36109(12) 0.0297(5) Uani 1 1 d . . . . .
 C7 C 0.0971(2) 0.14785(19) 0.26712(12) 0.0273(5) Uani 1 1 d . . . . .
 C8 C 0.1820(2) 0.11991(19) 0.21478(12) 0.0268(5) Uani 1 1 d . . . . .
 H8 H 0.2739 0.1263 0.2237 0.032 Uiso 1 1 calc R U . . .
 C9 C 0.1278(3) 0.0827(2) 0.14972(13) 0.0309(5) Uani 1 1 d . . . . .
 C10 C -0.0075(3) 0.0699(2) 0.13496(14) 0.0370(6) Uani 1 1 d . . . . .
 H10 H -0.0424 0.0480 0.0895 0.044 Uiso 1 1 calc R U . . .
 C11 C 0.5003(3) 0.2709(2) 0.38248(14) 0.0364(6) Uani 1 1 d . . . . .
 N12 N 0.6124(2) 0.29092(19) 0.34704(13) 0.0400(5) Uani 1 1 d . . . . .
 C13 C 0.5709(3) 0.3033(2) 0.27986(15) 0.0367(6) Uani 1 1 d . . . . .
 C14 C 0.6467(3) 0.3222(2) 0.22040(16) 0.0431(7) Uani 1 1 d . . . . .
 H14 H 0.7394 0.3213 0.2262 0.052 Uiso 1 1 calc R U . . .
 C15 C 0.5860(3) 0.3411(2) 0.15625(16) 0.0446(7) Uani 1 1 d . . . . .
 H15 H 0.6361 0.3454 0.1164 0.053 Uiso 1 1 calc R U . . .
 C16 C 0.4455(3) 0.3548(2) 0.14737(14) 0.0366(6) Uani 1 1 d . . . . .
 C17 C 0.3817(3) 0.3951(2) 0.08387(15) 0.0455(7) Uani 1 1 d . . . . .
 H17 H 0.4307 0.4040 0.0439 0.055 Uiso 1 1 calc R U . . .
 C18 C 0.4927(3) 0.2592(2) 0.45618(15) 0.0429(7) Uani 1 1 d . . . . .
 H18 H 0.5695 0.2638 0.4869 0.051 Uiso 1 1 calc R U . . .
 C19 C 0.3732(3) 0.2412(2) 0.48274(14) 0.0414(7) Uani 1 1 d . . . . .
 H19 H 0.3657 0.2401 0.5321 0.050 Uiso 1 1 calc R U . . .
 C20 C 0.2614(3) 0.2243(2) 0.43568(13) 0.0350(6) Uani 1 1 d . . . . .
 C21 C 0.0663(3) 0.1821(2) 0.39239(13) 0.0329(5) Uani 1 1 d . . . . .
 C22 C -0.0885(3) 0.0900(2) 0.18872(15) 0.0375(6) Uani 1 1 d . . . . .
 H22 H -0.1798 0.0787 0.1800 0.045 Uiso 1 1 calc R U . . .
 C23 C -0.0395(2) 0.1268(2) 0.25627(13) 0.0320(5) Uani 1 1 d . . . . .
 C24 C -0.1224(3) 0.1355(2) 0.31435(15) 0.0381(6) Uani 1 1 d . . . . .
 H24 H -0.2140 0.1256 0.3062 0.046 Uiso 1 1 calc R U . . .
 C25 C -0.0698(3) 0.1576(2) 0.38033(15) 0.0384(6) Uani 1 1 d . . . . .
 H25 H -0.1239 0.1568 0.4187 0.046 Uiso 1 1 calc R U . . .
 C26 C 0.0963(3) 0.5515(2) 0.60321(15) 0.0435(7) Uani 1 1 d . . . . .
 H26A H 0.1790 0.5952 0.6032 0.052 Uiso 1 1 calc R U . . .
 H26B H 0.0275 0.5965 0.5766 0.052 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 1.898(3) . ?
 Br2 C9 1.893(2) . ?
 Cl1 C26 1.762(3) . ?
 Cl2 C26 1.763(3) . ?
 N1 C4 1.409(3) . ?
 N1 C5 1.406(3) . ?
 N1 C13 1.407(3) . ?
 N2 C6 1.397(3) . ?
 N2 C7 1.407(3) . ?
 N2 C21 1.407(3) . ?
 N3 C20 1.374(3) . ?
 N3 C21 1.321(3) . ?
 C1 H1 0.9400 . ?
 C1 C2 1.390(4) . ?
 C1 C17 1.374(4) . ?
 C2 C3 1.380(3) . ?
 C3 H3 0.9400 . ?
 C3 C4 1.392(4) . ?
 C4 C16 1.414(3) . ?
 C5 C6 1.407(4) . ?
 C5 C11 1.412(3) . ?
 C6 C20 1.416(3) . ?
 C7 C8 1.396(3) . ?
 C7 C23 1.410(3) . ?
 C8 H8 0.9400 . ?
 C8 C9 1.378(3) . ?
 C9 C10 1.391(4) . ?
 C10 H10 0.9400 . ?
 C10 C22 1.372(4) . ?
 C11 N12 1.381(4) . ?
 C11 C18 1.405(4) . ?
 N12 C13 1.315(3) . ?
 C13 C14 1.423(4) . ?
 C14 H14 0.9400 . ?
 C14 C15 1.337(4) . ?
 C15 H15 0.9400 . ?
 C15 C16 1.434(4) . ?
 C16 C17 1.401(4) . ?
 C17 H17 0.9400 . ?
 C18 H18 0.9400 . ?
 C18 C19 1.363(4) . ?
 C19 H19 0.9400 . ?
 C19 C20 1.405(4) . ?
 C21 C25 1.414(4) . ?
 C22 H22 0.9400 . ?
 C22 C23 1.401(4) . ?
 C23 C24 1.433(4) . ?
 C24 H24 0.9400 . ?
 C24 C25 1.344(4) . ?
 C25 H25 0.9400 . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?

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 131.8(2) . . ?
 C5 N1 C13 105.7(2) . . ?
 C13 N1 C4 120.2(2) . . ?
 C6 N2 C7 132.1(2) . . ?
 C6 N2 C21 106.12(19) . . ?
 C7 N2 C21 120.3(2) . . ?
 C21 N3 C20 105.4(2) . . ?
 C2 C1 H1 120.9 . . ?
 C17 C1 H1 120.9 . . ?
 C17 C1 C2 118.3(3) . . ?
 C1 C2 Br1 118.7(2) . . ?
 C3 C2 Br1 118.8(2) . . ?
 C3 C2 C1 122.5(3) . . ?
 C2 C3 H3 120.9 . . ?
 C2 C3 C4 118.3(2) . . ?
 C4 C3 H3 120.9 . . ?
 N1 C4 C16 116.6(2) . . ?
 C3 C4 N1 122.2(2) . . ?
 C3 C4 C16 121.1(2) . . ?
 N1 C5 C6 137.5(2) . . ?
 N1 C5 C11 104.6(2) . . ?
 C6 C5 C11 117.7(2) . . ?
 N2 C6 C5 137.5(2) . . ?
 N2 C6 C20 104.5(2) . . ?
 C5 C6 C20 118.0(2) . . ?
 N2 C7 C23 117.1(2) . . ?
 C8 C7 N2 122.2(2) . . ?
 C8 C7 C23 120.7(2) . . ?
 C7 C8 H8 120.8 . . ?
 C9 C8 C7 118.4(2) . . ?
 C9 C8 H8 120.8 . . ?
 C8 C9 Br2 119.02(19) . . ?
 C8 C9 C10 122.5(2) . . ?
 C10 C9 Br2 118.44(19) . . ?
 C9 C10 H10 121.0 . . ?
 C22 C10 C9 118.1(2) . . ?
 C22 C10 H10 121.0 . . ?
 N12 C11 C5 111.0(2) . . ?
 N12 C11 C18 127.0(2) . . ?
 C18 C11 C5 122.0(3) . . ?
 C13 N12 C11 105.5(2) . . ?
 N1 C13 C14 118.6(2) . . ?
 N12 C13 N1 112.8(2) . . ?
 N12 C13 C14 128.6(3) . . ?
 C13 C14 H14 120.0 . . ?
 C15 C14 C13 119.9(3) . . ?
 C15 C14 H14 120.0 . . ?
 C14 C15 H15 119.5 . . ?
 C14 C15 C16 121.0(3) . . ?
 C16 C15 H15 119.5 . . ?
 C4 C16 C15 120.0(3) . . ?
 C17 C16 C4 117.5(3) . . ?
 C17 C16 C15 122.2(2) . . ?
 C1 C17 C16 122.1(3) . . ?
 C1 C17 H17 119.0 . . ?
 C16 C17 H17 119.0 . . ?
 C11 C18 H18 120.2 . . ?
 C19 C18 C11 119.5(2) . . ?
 C19 C18 H18 120.2 . . ?
 C18 C19 H19 120.3 . . ?
 C18 C19 C20 119.4(2) . . ?
 C20 C19 H19 120.3 . . ?
 N3 C20 C6 111.2(2) . . ?
 N3 C20 C19 126.9(2) . . ?
 C19 C20 C6 121.9(3) . . ?
 N2 C21 C25 119.0(2) . . ?
 N3 C21 N2 112.4(2) . . ?
 N3 C21 C25 128.6(2) . . ?
 C10 C22 H22 118.9 . . ?
 C10 C22 C23 122.2(2) . . ?
 C23 C22 H22 118.9 . . ?
 C7 C23 C24 120.2(2) . . ?
 C22 C23 C7 117.8(2) . . ?
 C22 C23 C24 121.8(2) . . ?
 C23 C24 H24 119.8 . . ?
 C25 C24 C23 120.4(2) . . ?
 C25 C24 H24 119.8 . . ?
 C21 C25 H25 119.8 . . ?
 C24 C25 C21 120.4(2) . . ?
 C24 C25 H25 119.8 . . ?
 Cl1 C26 Cl2 111.56(16) . . ?
 Cl1 C26 H26A 109.3 . . ?
 Cl1 C26 H26B 109.3 . . ?
 Cl2 C26 H26A 109.3 . . ?
 Cl2 C26 H26B 109.3 . . ?
 H26A C26 H26B 108.0 . . ?

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 -179.84(17) . . . . ?
 Br2 C9 C10 C22 176.32(19) . . . . ?
 N1 C4 C16 C15 -7.9(3) . . . . ?
 N1 C4 C16 C17 177.7(2) . . . . ?
 N1 C5 C6 N2 6.2(5) . . . . ?
 N1 C5 C6 C20 -170.4(3) . . . . ?
 N1 C5 C11 N12 -6.1(3) . . . . ?
 N1 C5 C11 C18 173.4(2) . . . . ?
 N1 C13 C14 C15 6.6(4) . . . . ?
 N2 C6 C20 N3 -5.4(3) . . . . ?
 N2 C6 C20 C19 172.7(2) . . . . ?
 N2 C7 C8 C9 -176.6(2) . . . . ?
 N2 C7 C23 C22 175.9(2) . . . . ?
 N2 C7 C23 C24 -8.4(3) . . . . ?
 N2 C21 C25 C24 5.1(4) . . . . ?
 N3 C21 C25 C24 -176.6(3) . . . . ?
 C1 C2 C3 C4 -0.9(4) . . . . ?
 C2 C1 C17 C16 1.2(4) . . . . ?
 C2 C3 C4 N1 -178.7(2) . . . . ?
 C2 C3 C4 C16 4.9(3) . . . . ?
 C3 C4 C16 C15 168.8(2) . . . . ?
 C3 C4 C16 C17 -5.7(4) . . . . ?
 C4 N1 C5 C6 28.2(5) . . . . ?
 C4 N1 C5 C11 -156.2(2) . . . . ?
 C4 N1 C13 N12 160.6(2) . . . . ?
 C4 N1 C13 C14 -21.0(3) . . . . ?
 C4 C16 C17 C1 2.6(4) . . . . ?
 C5 N1 C4 C3 4.6(4) . . . . ?
 C5 N1 C4 C16 -178.8(2) . . . . ?
 C5 N1 C13 N12 -4.1(3) . . . . ?
 C5 N1 C13 C14 174.4(2) . . . . ?
 C5 C6 C20 N3 172.2(2) . . . . ?
 C5 C6 C20 C19 -9.7(4) . . . . ?
 C5 C11 N12 C13 3.7(3) . . . . ?
 C5 C11 C18 C19 -0.4(4) . . . . ?
 C6 N2 C7 C8 6.0(4) . . . . ?
 C6 N2 C7 C23 -177.1(2) . . . . ?
 C6 N2 C21 N3 -3.8(3) . . . . ?
 C6 N2 C21 C25 174.7(2) . . . . ?
 C6 C5 C11 N12 170.5(2) . . . . ?
 C6 C5 C11 C18 -9.9(4) . . . . ?
 C7 N2 C6 C5 22.7(5) . . . . ?
 C7 N2 C6 C20 -160.4(2) . . . . ?
 C7 N2 C21 N3 164.0(2) . . . . ?
 C7 N2 C21 C25 -17.5(3) . . . . ?
 C7 C8 C9 Br2 179.19(16) . . . . ?
 C7 C8 C9 C10 -1.4(4) . . . . ?
 C7 C23 C24 C25 -3.6(4) . . . . ?
 C8 C7 C23 C22 -7.3(3) . . . . ?
 C8 C7 C23 C24 168.5(2) . . . . ?
 C8 C9 C10 C22 -3.1(4) . . . . ?
 C9 C10 C22 C23 2.4(4) . . . . ?
 C10 C22 C23 C7 2.7(4) . . . . ?
 C10 C22 C23 C24 -173.0(2) . . . . ?
 C11 C5 C6 N2 -169.0(3) . . . . ?
 C11 C5 C6 C20 14.5(3) . . . . ?
 C11 N12 C13 N1 0.3(3) . . . . ?
 C11 N12 C13 C14 -178.0(3) . . . . ?
 C11 C18 C19 C20 5.7(4) . . . . ?
 N12 C11 C18 C19 179.1(3) . . . . ?
 N12 C13 C14 C15 -175.2(3) . . . . ?
 C13 N1 C4 C3 -155.4(2) . . . . ?
 C13 N1 C4 C16 21.2(3) . . . . ?
 C13 N1 C5 C6 -169.7(3) . . . . ?
 C13 N1 C5 C11 5.9(2) . . . . ?
 C13 C14 C15 C16 6.6(4) . . . . ?
 C14 C15 C16 C4 -6.0(4) . . . . ?
 C14 C15 C16 C17 168.2(3) . . . . ?
 C15 C16 C17 C1 -171.7(3) . . . . ?
 C17 C1 C2 Br1 176.8(2) . . . . ?
 C17 C1 C2 C3 -2.1(4) . . . . ?
 C18 C11 N12 C13 -175.8(3) . . . . ?
 C18 C19 C20 N3 177.2(2) . . . . ?
 C18 C19 C20 C6 -0.7(4) . . . . ?
 C20 N3 C21 N2 0.4(3) . . . . ?
 C20 N3 C21 C25 -177.9(2) . . . . ?
 C21 N2 C6 C5 -171.6(3) . . . . ?
 C21 N2 C6 C20 5.3(2) . . . . ?
 C21 N2 C7 C8 -158.0(2) . . . . ?
 C21 N2 C7 C23 18.8(3) . . . . ?
 C21 N3 C20 C6 3.1(3) . . . . ?
 C21 N3 C20 C19 -174.9(2) . . . . ?
 C22 C23 C24 C25 172.0(2) . . . . ?
 C23 C7 C8 C9 6.7(3) . . . . ?
 C23 C24 C25 C21 5.2(4) . . . . ?


_olex2_submission_special_instructions  'No special instructions were received'
