# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_22nova_o_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2423086'
loop_
_audit_author_name
_audit_author_address
'Ahmad Husain'
;DAV University Jalandhar
India
;
_audit_update_record             
;
2025-02-11 deposited with the CCDC.	2026-05-11 downloaded from the CCDC.
;
_audit_creation_date             2025-02-11
_audit_creation_method           
;
Olex2 1.5-alpha
(compiled 2025.01.22 svn.rc7346086 for OlexSys, GUI svn.r7128)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H17 Br N2 O2'
_chemical_formula_sum            'C23 H17 Br N2 O2'
_chemical_formula_weight         433.29
_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'
O O 0.0106 0.0060 '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/c 1'
_space_group_name_Hall           '-P 2ybc'
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'

_cell_length_a                   8.6102(2)
_cell_length_b                   13.8584(4)
_cell_length_c                   15.3809(5)
_cell_angle_alpha                90
_cell_angle_beta                 95.6250(10)
_cell_angle_gamma                90
_cell_volume                     1826.47(9)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9937
_cell_measurement_temperature    296.15
_cell_measurement_theta_max      28.306
_cell_measurement_theta_min      2.377
_shelx_estimated_absorpt_T_max   0.685
_shelx_estimated_absorpt_T_min   0.647
_exptl_absorpt_coefficient_mu    2.273
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6302
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0675 before and 0.0546 after correction.
The Ratio of minimum to maximum transmission is 0.8451.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             880
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0579
_diffrn_reflns_av_unetI/netI     0.0301
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            41008
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.324
_diffrn_reflns_theta_min         1.982
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 1.000
_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_source                   ?
_diffrn_source_current           1.0
_diffrn_source_power             0.05
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3973
_reflns_number_total             4566
_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 V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.578
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         4566
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0350
_refine_ls_R_factor_gt           0.0284
_refine_ls_restrained_S_all      1.035
_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)+(0.0294P)²+1.5003P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0683
_refine_ls_wR_factor_ref         0.0706
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C15(H15)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), N2(H2), C2(H2A), C20(H20), C10(H10), C19(H19), C6(H6), C3(H3),
 C11(H11), C21(H21), C13(H13), C22(H22), C12(H12)
2.c Idealised Me refined as rotating group:
 C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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 -0.03893(2) 0.33590(2) -0.03242(2) 0.02059(6) Uani 1 1 d . . . . .
O2 O 0.53599(14) 0.39912(9) 0.33438(8) 0.0158(3) Uani 1 1 d . . . . .
O1 O 0.04580(15) 0.46430(10) 0.39363(8) 0.0203(3) Uani 1 1 d . . . . .
N1 N 0.18857(17) 0.42909(11) 0.52409(9) 0.0164(3) Uani 1 1 d . . . . .
H1 H 0.134871 0.461123 0.558539 0.020 Uiso 1 1 calc R U . . .
N2 N 0.23712(18) 0.29137(11) 0.34284(9) 0.0161(3) Uani 1 1 d . . . . .
H2 H 0.246282 0.233461 0.362780 0.019 Uiso 1 1 calc R U . . .
C17 C 0.1591(2) 0.42806(13) 0.43604(11) 0.0156(3) Uani 1 1 d . . . . .
C18 C 0.3183(2) 0.37107(13) 0.55226(11) 0.0142(3) Uani 1 1 d . . . . .
C2 C 0.0014(2) 0.24572(13) 0.13454(12) 0.0176(4) Uani 1 1 d . . . . .
H2A H -0.068542 0.199894 0.109854 0.021 Uiso 1 1 calc R U . . .
C4 C 0.1684(2) 0.30700(13) 0.25849(11) 0.0140(3) Uani 1 1 d . . . . .
C1 C 0.0468(2) 0.32325(13) 0.08601(11) 0.0158(3) Uani 1 1 d . . . . .
C16 C 0.2934(2) 0.37136(13) 0.39749(11) 0.0136(3) Uani 1 1 d . . . . .
C5 C 0.20922(19) 0.38668(12) 0.20950(11) 0.0123(3) Uani 1 1 d . . . . .
C7 C 0.2146(2) 0.56143(13) 0.24918(11) 0.0159(3) Uani 1 1 d . . . . .
H7A H 0.191199 0.582284 0.189826 0.024 Uiso 1 1 calc R U . . .
H7B H 0.273216 0.610651 0.281776 0.024 Uiso 1 1 calc R U . . .
H7C H 0.119117 0.549699 0.274830 0.024 Uiso 1 1 calc R U . . .
C9 C 0.4603(2) 0.48132(12) 0.20712(11) 0.0134(3) Uani 1 1 d . . . . .
C20 C 0.4940(2) 0.27894(13) 0.64713(11) 0.0185(4) Uani 1 1 d . . . . .
H20 H 0.531067 0.258976 0.703069 0.022 Uiso 1 1 calc R U . . .
C10 C 0.4899(2) 0.52877(13) 0.13105(12) 0.0172(4) Uani 1 1 d . . . . .
H10 H 0.409218 0.557904 0.095823 0.021 Uiso 1 1 calc R U . . .
C8 C 0.3110(2) 0.46817(12) 0.25098(11) 0.0126(3) Uani 1 1 d . . . . .
C15 C 0.38462(19) 0.44166(13) 0.34491(11) 0.0133(3) Uani 1 1 d . . . . .
H15 H 0.401317 0.501430 0.378583 0.016 Uiso 1 1 calc R U . . .
C23 C 0.3853(2) 0.33494(13) 0.47994(11) 0.0148(3) Uani 1 1 d . . . . .
C19 C 0.3720(2) 0.34504(13) 0.63689(11) 0.0170(4) Uani 1 1 d . . . . .
H19 H 0.328362 0.370670 0.684801 0.020 Uiso 1 1 calc R U . . .
C14 C 0.5830(2) 0.43911(12) 0.25909(11) 0.0147(3) Uani 1 1 d . . . . .
C6 C 0.1480(2) 0.39309(13) 0.12229(11) 0.0142(3) Uani 1 1 d . . . . .
H6 H 0.175457 0.444704 0.088317 0.017 Uiso 1 1 calc R U . . .
C3 C 0.0631(2) 0.23856(13) 0.22080(11) 0.0169(4) Uani 1 1 d . . . . .
H3 H 0.033860 0.187116 0.254443 0.020 Uiso 1 1 calc R U . . .
C11 C 0.6429(2) 0.53200(14) 0.10834(12) 0.0201(4) Uani 1 1 d . . . . .
H11 H 0.664602 0.563879 0.057729 0.024 Uiso 1 1 calc R U . . .
C21 C 0.5621(2) 0.24190(13) 0.57571(12) 0.0197(4) Uani 1 1 d . . . . .
H21 H 0.643528 0.197815 0.584477 0.024 Uiso 1 1 calc R U . . .
C13 C 0.7351(2) 0.43981(13) 0.23795(12) 0.0176(4) Uani 1 1 d . . . . .
H13 H 0.815041 0.409893 0.273107 0.021 Uiso 1 1 calc R U . . .
C22 C 0.5086(2) 0.27060(13) 0.49102(12) 0.0189(4) Uani 1 1 d . . . . .
H22 H 0.554778 0.247025 0.443128 0.023 Uiso 1 1 calc R U . . .
C12 C 0.7630(2) 0.48780(14) 0.16098(12) 0.0202(4) Uani 1 1 d . . . . .
H12 H 0.864119 0.490212 0.144621 0.024 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 C1 1.9053(17) . ?
O2 C15 1.454(2) . ?
O2 C14 1.380(2) . ?
O1 C17 1.227(2) . ?
N1 H1 0.8600 . ?
N1 C17 1.353(2) . ?
N1 C18 1.410(2) . ?
N2 H2 0.8600 . ?
N2 C4 1.389(2) . ?
N2 C16 1.446(2) . ?
C17 C16 1.562(2) . ?
C18 C23 1.395(2) . ?
C18 C19 1.386(2) . ?
C2 H2A 0.9300 . ?
C2 C1 1.386(3) . ?
C2 C3 1.384(2) . ?
C4 C5 1.401(2) . ?
C4 C3 1.398(2) . ?
C1 C6 1.383(2) . ?
C16 C15 1.531(2) . ?
C16 C23 1.514(2) . ?
C5 C8 1.530(2) . ?
C5 C6 1.395(2) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C7 C8 1.535(2) . ?
C9 C10 1.387(2) . ?
C9 C8 1.521(2) . ?
C9 C14 1.390(2) . ?
C20 H20 0.9300 . ?
C20 C19 1.391(3) . ?
C20 C21 1.393(3) . ?
C10 H10 0.9300 . ?
C10 C11 1.396(3) . ?
C8 C15 1.564(2) . ?
C15 H15 0.9800 . ?
C23 C22 1.384(3) . ?
C19 H19 0.9300 . ?
C14 C13 1.380(2) . ?
C6 H6 0.9300 . ?
C3 H3 0.9300 . ?
C11 H11 0.9300 . ?
C11 C12 1.392(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.396(3) . ?
C13 H13 0.9300 . ?
C13 C12 1.399(3) . ?
C22 H22 0.9300 . ?
C12 H12 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
C14 O2 C15 105.69(13) . . ?
C17 N1 H1 124.2 . . ?
C17 N1 C18 111.51(15) . . ?
C18 N1 H1 124.2 . . ?
C4 N2 H2 119.6 . . ?
C4 N2 C16 120.74(15) . . ?
C16 N2 H2 119.6 . . ?
O1 C17 N1 126.09(16) . . ?
O1 C17 C16 125.72(15) . . ?
N1 C17 C16 108.19(14) . . ?
C23 C18 N1 109.67(15) . . ?
C19 C18 N1 128.23(16) . . ?
C19 C18 C23 121.96(17) . . ?
C1 C2 H2A 121.0 . . ?
C3 C2 H2A 121.0 . . ?
C3 C2 C1 118.01(16) . . ?
N2 C4 C5 121.27(16) . . ?
N2 C4 C3 118.75(16) . . ?
C3 C4 C5 119.89(15) . . ?
C2 C1 Br1 118.86(13) . . ?
C6 C1 Br1 119.42(13) . . ?
C6 C1 C2 121.68(16) . . ?
N2 C16 C17 112.84(14) . . ?
N2 C16 C15 109.92(14) . . ?
N2 C16 C23 110.44(14) . . ?
C15 C16 C17 108.51(14) . . ?
C23 C16 C17 101.26(13) . . ?
C23 C16 C15 113.67(14) . . ?
C4 C5 C8 121.41(15) . . ?
C6 C5 C4 118.44(15) . . ?
C6 C5 C8 120.06(15) . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C8 C7 H7A 109.5 . . ?
C8 C7 H7B 109.5 . . ?
C8 C7 H7C 109.5 . . ?
C10 C9 C8 131.60(16) . . ?
C10 C9 C14 119.54(16) . . ?
C14 C9 C8 108.81(15) . . ?
C19 C20 H20 119.2 . . ?
C19 C20 C21 121.66(16) . . ?
C21 C20 H20 119.2 . . ?
C9 C10 H10 120.6 . . ?
C9 C10 C11 118.79(17) . . ?
C11 C10 H10 120.6 . . ?
C5 C8 C7 109.13(14) . . ?
C5 C8 C15 112.06(14) . . ?
C7 C8 C15 112.59(14) . . ?
C9 C8 C5 112.22(13) . . ?
C9 C8 C7 111.74(14) . . ?
C9 C8 C15 98.87(13) . . ?
O2 C15 C16 108.23(13) . . ?
O2 C15 C8 106.21(13) . . ?
O2 C15 H15 108.4 . . ?
C16 C15 C8 117.06(14) . . ?
C16 C15 H15 108.4 . . ?
C8 C15 H15 108.4 . . ?
C18 C23 C16 108.98(15) . . ?
C22 C23 C18 120.34(16) . . ?
C22 C23 C16 130.50(16) . . ?
C18 C19 C20 117.17(17) . . ?
C18 C19 H19 121.4 . . ?
C20 C19 H19 121.4 . . ?
O2 C14 C9 112.53(15) . . ?
O2 C14 C13 124.30(16) . . ?
C13 C14 C9 123.15(16) . . ?
C1 C6 C5 120.48(16) . . ?
C1 C6 H6 119.8 . . ?
C5 C6 H6 119.8 . . ?
C2 C3 C4 121.43(16) . . ?
C2 C3 H3 119.3 . . ?
C4 C3 H3 119.3 . . ?
C10 C11 H11 119.8 . . ?
C12 C11 C10 120.42(17) . . ?
C12 C11 H11 119.8 . . ?
C20 C21 H21 119.8 . . ?
C20 C21 C22 120.34(17) . . ?
C22 C21 H21 119.8 . . ?
C14 C13 H13 121.7 . . ?
C14 C13 C12 116.64(17) . . ?
C12 C13 H13 121.7 . . ?
C23 C22 C21 118.50(17) . . ?
C23 C22 H22 120.8 . . ?
C21 C22 H22 120.8 . . ?
C11 C12 C13 121.45(17) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?

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 C1 C6 C5 178.38(13) . . . . ?
O2 C14 C13 C12 -176.89(16) . . . . ?
O1 C17 C16 N2 -55.3(2) . . . . ?
O1 C17 C16 C15 66.7(2) . . . . ?
O1 C17 C16 C23 -173.38(18) . . . . ?
N1 C17 C16 N2 123.87(16) . . . . ?
N1 C17 C16 C15 -114.06(15) . . . . ?
N1 C17 C16 C23 5.82(18) . . . . ?
N1 C18 C23 C16 -0.1(2) . . . . ?
N1 C18 C23 C22 -175.69(16) . . . . ?
N1 C18 C19 C20 173.74(17) . . . . ?
N2 C4 C5 C8 -9.8(3) . . . . ?
N2 C4 C5 C6 173.59(16) . . . . ?
N2 C4 C3 C2 -174.27(17) . . . . ?
N2 C16 C15 O2 -75.12(16) . . . . ?
N2 C16 C15 C8 44.76(19) . . . . ?
N2 C16 C23 C18 -123.11(16) . . . . ?
N2 C16 C23 C22 51.9(2) . . . . ?
C17 N1 C18 C23 4.3(2) . . . . ?
C17 N1 C18 C19 -171.55(17) . . . . ?
C17 C16 C15 O2 161.05(13) . . . . ?
C17 C16 C15 C8 -79.07(17) . . . . ?
C17 C16 C23 C18 -3.33(18) . . . . ?
C17 C16 C23 C22 171.65(19) . . . . ?
C18 N1 C17 O1 172.82(18) . . . . ?
C18 N1 C17 C16 -6.4(2) . . . . ?
C18 C23 C22 C21 1.0(3) . . . . ?
C2 C1 C6 C5 0.8(3) . . . . ?
C4 N2 C16 C17 76.45(19) . . . . ?
C4 N2 C16 C15 -44.8(2) . . . . ?
C4 N2 C16 C23 -171.03(15) . . . . ?
C4 C5 C8 C7 -114.87(17) . . . . ?
C4 C5 C8 C9 120.72(17) . . . . ?
C4 C5 C8 C15 10.5(2) . . . . ?
C4 C5 C6 C1 1.4(2) . . . . ?
C1 C2 C3 C4 -0.1(3) . . . . ?
C16 N2 C4 C5 28.7(2) . . . . ?
C16 N2 C4 C3 -154.83(16) . . . . ?
C16 C23 C22 C21 -173.51(17) . . . . ?
C5 C4 C3 C2 2.2(3) . . . . ?
C5 C8 C15 O2 92.09(16) . . . . ?
C5 C8 C15 C16 -28.9(2) . . . . ?
C7 C8 C15 O2 -144.45(14) . . . . ?
C7 C8 C15 C16 94.61(18) . . . . ?
C9 C10 C11 C12 0.4(3) . . . . ?
C9 C8 C15 O2 -26.35(16) . . . . ?
C9 C8 C15 C16 -147.30(14) . . . . ?
C9 C14 C13 C12 1.4(3) . . . . ?
C20 C21 C22 C23 -1.2(3) . . . . ?
C10 C9 C8 C5 81.0(2) . . . . ?
C10 C9 C8 C7 -41.9(2) . . . . ?
C10 C9 C8 C15 -160.66(18) . . . . ?
C10 C9 C14 O2 176.93(15) . . . . ?
C10 C9 C14 C13 -1.5(3) . . . . ?
C10 C11 C12 C13 -0.5(3) . . . . ?
C8 C5 C6 C1 -175.29(15) . . . . ?
C8 C9 C10 C11 177.52(17) . . . . ?
C8 C9 C14 O2 -0.7(2) . . . . ?
C8 C9 C14 C13 -179.11(16) . . . . ?
C15 O2 C14 C9 -17.26(19) . . . . ?
C15 O2 C14 C13 161.18(17) . . . . ?
C15 C16 C23 C18 112.82(17) . . . . ?
C15 C16 C23 C22 -72.2(2) . . . . ?
C23 C18 C19 C20 -1.6(3) . . . . ?
C23 C16 C15 O2 49.24(18) . . . . ?
C23 C16 C15 C8 169.12(14) . . . . ?
C19 C18 C23 C16 176.00(16) . . . . ?
C19 C18 C23 C22 0.4(3) . . . . ?
C19 C20 C21 C22 0.0(3) . . . . ?
C14 O2 C15 C16 154.02(13) . . . . ?
C14 O2 C15 C8 27.54(16) . . . . ?
C14 C9 C10 C11 0.6(3) . . . . ?
C14 C9 C8 C5 -101.78(16) . . . . ?
C14 C9 C8 C7 135.26(15) . . . . ?
C14 C9 C8 C15 16.53(17) . . . . ?
C14 C13 C12 C11 -0.4(3) . . . . ?
C6 C5 C8 C7 61.7(2) . . . . ?
C6 C5 C8 C9 -62.7(2) . . . . ?
C6 C5 C8 C15 -172.90(15) . . . . ?
C3 C2 C1 Br1 -179.04(13) . . . . ?
C3 C2 C1 C6 -1.4(3) . . . . ?
C3 C4 C5 C8 173.78(15) . . . . ?
C3 C4 C5 C6 -2.8(2) . . . . ?
C21 C20 C19 C18 1.4(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
