# Supplementary Information (SI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_yy117
_database_code_depnum_ccdc_archive 'CCDC 2449087'
loop_
_audit_author_name
_audit_author_address
'Youngmee Kim'
;Ewha Womans University
South Korea
;
_audit_update_record             
;
2025-05-06 deposited with the CCDC.	2025-08-07 downloaded from the CCDC.
;
_audit_creation_date             2023-03-31
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            JB-20220705
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H27 Br N4'
_chemical_formula_sum            'C23 H27 Br N4'
_chemical_formula_weight         439.39
_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           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                   12.1437(7)
_cell_length_b                   13.1023(8)
_cell_length_c                   13.9203(8)
_cell_angle_alpha                90
_cell_angle_beta                 106.002(2)
_cell_angle_gamma                90
_cell_volume                     2129.0(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9972
_cell_measurement_temperature    223.(2)
_cell_measurement_theta_max      26.8803
_cell_measurement_theta_min      2.1753
_shelx_estimated_absorpt_T_max   0.892
_shelx_estimated_absorpt_T_min   0.697
_exptl_absorpt_coefficient_mu    1.946
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_correction_T_min  0.72
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.06
_exptl_special_details           
;

;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0168
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            67441
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.050
_diffrn_reflns_theta_max         25.050
_diffrn_reflns_theta_min         1.974
_diffrn_ambient_temperature      223.15
_diffrn_detector_area_resol_mean 7.3910
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3255
_reflns_number_total             3765
_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 (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service v2021.1.0.1'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         0.304
_refine_diff_density_min         -0.465
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3765
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0288
_refine_ls_restrained_S_all      1.051
_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)+(0.0322P)²+1.3555P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0733
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C16(H16A,H16B), C17(H17A,H17B)
2.b Aromatic/amide H refined with riding coordinates:
 C10(H10), C11(H11), C13(H13), C14(H14), C19(H19), C20(H20), C21(H21),
 C22(H22), C23(H23)
2.c Idealised Me refined as rotating group:
 C4(H4A,H4B,H4C), C5(H5A,H5B,H5C), C6(H6A,H6B,H6C), C7(H7A,H7B,H7C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_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 0.84220(2) 0.08429(2) 0.74203(2) 0.04781(10) Uani 1 1 d . . . . .
C1 C 0.23790(16) 0.39714(15) 0.54442(15) 0.0278(4) Uani 1 1 d . . . . .
C2 C 0.16087(17) 0.52028(16) 0.43106(15) 0.0333(5) Uani 1 1 d . . . . .
C3 C 0.07992(17) 0.44960(16) 0.42502(14) 0.0315(4) Uani 1 1 d . . . . .
C4 C 0.37296(18) 0.52578(19) 0.51440(18) 0.0429(5) Uani 1 1 d . . . . .
H4A H 0.408426 0.548577 0.582177 0.064 Uiso 1 1 calc R U . . .
H4B H 0.369174 0.582237 0.468520 0.064 Uiso 1 1 calc R U . . .
H4C H 0.418082 0.470981 0.497616 0.064 Uiso 1 1 calc R U . . .
C5 C 0.1618(2) 0.6166(2) 0.37489(19) 0.0490(6) Uani 1 1 d . . . . .
H5A H 0.085773 0.629566 0.331312 0.074 Uiso 1 1 calc R U . . .
H5B H 0.215695 0.610402 0.335110 0.074 Uiso 1 1 calc R U . . .
H5C H 0.184641 0.672738 0.421598 0.074 Uiso 1 1 calc R U . . .
C6 C -0.03812(18) 0.44130(19) 0.35684(17) 0.0416(5) Uani 1 1 d . . . . .
H6A H -0.055975 0.502349 0.316078 0.062 Uiso 1 1 calc R U . . .
H6B H -0.092462 0.434007 0.396040 0.062 Uiso 1 1 calc R U . . .
H6C H -0.042815 0.382154 0.313995 0.062 Uiso 1 1 calc R U . . .
C7 C 0.06690(19) 0.28882(17) 0.52296(17) 0.0406(5) Uani 1 1 d . . . . .
H7A H 0.091072 0.226369 0.497319 0.061 Uiso 1 1 calc R U . . .
H7B H -0.014920 0.297878 0.494595 0.061 Uiso 1 1 calc R U . . .
H7C H 0.084173 0.284689 0.595167 0.061 Uiso 1 1 calc R U . . .
C8 C 0.41986(16) 0.36517(15) 0.68292(15) 0.0286(4) Uani 1 1 d . . . . .
C9 C 0.52245(16) 0.29771(15) 0.69765(15) 0.0283(4) Uani 1 1 d . . . . .
C10 C 0.53543(18) 0.23365(16) 0.62257(16) 0.0360(5) Uani 1 1 d . . . . .
H10 H 0.478618 0.232833 0.561052 0.043 Uiso 1 1 calc R U . . .
C11 C 0.62961(18) 0.17093(17) 0.63566(17) 0.0384(5) Uani 1 1 d . . . . .
H11 H 0.637078 0.128358 0.583465 0.046 Uiso 1 1 calc R U . . .
C12 C 0.71259(17) 0.17125(15) 0.72588(16) 0.0333(5) Uani 1 1 d . . . . .
C13 C 0.70333(17) 0.23406(17) 0.80249(16) 0.0350(5) Uani 1 1 d . . . . .
H13 H 0.760263 0.234014 0.863940 0.042 Uiso 1 1 calc R U . . .
C14 C 0.60855(17) 0.29752(16) 0.78756(15) 0.0321(4) Uani 1 1 d . . . . .
H14 H 0.602376 0.341326 0.839298 0.039 Uiso 1 1 calc R U . . .
N5 N 0.34258(15) 0.50843(13) 0.73370(14) 0.0344(4) Uani 1 1 d . . . . .
C16 C 0.3523(2) 0.56042(16) 0.82801(17) 0.0403(5) Uani 1 1 d . . . . .
H16A H 0.289221 0.609465 0.818321 0.048 Uiso 1 1 calc R U . . .
H16B H 0.424022 0.599254 0.845866 0.048 Uiso 1 1 calc R U . . .
C17 C 0.3502(2) 0.49096(19) 0.91526(17) 0.0449(6) Uani 1 1 d . . . . .
H17A H 0.414808 0.443416 0.927049 0.054 Uiso 1 1 calc R U . . .
H17B H 0.360285 0.532605 0.975552 0.054 Uiso 1 1 calc R U . . .
C18 C 0.24119(19) 0.43099(17) 0.89815(16) 0.0378(5) Uani 1 1 d . . . . .
C19 C 0.1408(2) 0.47599(19) 0.90590(17) 0.0430(5) Uani 1 1 d . . . . .
H19 H 0.141526 0.544996 0.924542 0.052 Uiso 1 1 calc R U . . .
C20 C 0.0397(2) 0.4218(2) 0.88688(19) 0.0558(7) Uani 1 1 d . . . . .
H20 H -0.027504 0.453973 0.892247 0.067 Uiso 1 1 calc R U . . .
C21 C 0.0373(3) 0.3204(2) 0.85999(19) 0.0602(8) Uani 1 1 d . . . . .
H21 H -0.031103 0.282841 0.847755 0.072 Uiso 1 1 calc R U . . .
C22 C 0.1351(3) 0.2753(2) 0.8514(2) 0.0629(8) Uani 1 1 d . . . . .
H22 H 0.133725 0.206196 0.832837 0.075 Uiso 1 1 calc R U . . .
C23 C 0.2362(2) 0.32943(19) 0.86937(18) 0.0508(6) Uani 1 1 d . . . . .
H23 H 0.302530 0.297063 0.862041 0.061 Uiso 1 1 calc R U . . .
N1 N 0.25840(14) 0.48931(13) 0.50675(13) 0.0322(4) Uani 1 1 d . . . . .
N2 N 0.12672(13) 0.37406(13) 0.49601(12) 0.0292(4) Uani 1 1 d . . . . .
C24 C 0.31355(17) 0.33525(16) 0.61173(15) 0.0315(4) Uani 1 1 d . . . . .
N4 N 0.43690(14) 0.44515(13) 0.74086(13) 0.0315(4) Uani 1 1 d . . . . .
H24 H 0.2980(19) 0.2678(19) 0.6082(17) 0.039(6) Uiso 1 1 d . . . . .
H5 H 0.277(2) 0.4715(18) 0.7131(16) 0.036(6) Uiso 1 1 d . . . . .


_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 C12 1.905(2) . ?
C1 N1 1.366(3) . ?
C1 N2 1.366(2) . ?
C1 C24 1.380(3) . ?
C2 C3 1.336(3) . ?
C2 C5 1.486(3) . ?
C2 N1 1.410(3) . ?
C3 C6 1.489(3) . ?
C3 N2 1.403(3) . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C4 H4C 0.9700 . ?
C4 N1 1.447(3) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 H5C 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C6 H6C 0.9700 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C7 N2 1.437(3) . ?
C8 C9 1.495(3) . ?
C8 C24 1.448(3) . ?
C8 N4 1.304(3) . ?
C9 C10 1.383(3) . ?
C9 C14 1.392(3) . ?
C10 H10 0.9400 . ?
C10 C11 1.379(3) . ?
C11 H11 0.9400 . ?
C11 C12 1.377(3) . ?
C12 C13 1.376(3) . ?
C13 H13 0.9400 . ?
C13 C14 1.388(3) . ?
C14 H14 0.9400 . ?
N5 C16 1.455(3) . ?
N5 N4 1.395(2) . ?
N5 H5 0.91(2) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 C17 1.524(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 C18 1.500(3) . ?
C18 C19 1.385(3) . ?
C18 C23 1.386(3) . ?
C19 H19 0.9400 . ?
C19 C20 1.379(4) . ?
C20 H20 0.9400 . ?
C20 C21 1.378(4) . ?
C21 H21 0.9400 . ?
C21 C22 1.361(4) . ?
C22 H22 0.9400 . ?
C22 C23 1.380(4) . ?
C23 H23 0.9400 . ?
C24 H24 0.90(2) . ?

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
N1 C1 C24 128.48(18) . . ?
N2 C1 N1 105.43(16) . . ?
N2 C1 C24 125.95(19) . . ?
C3 C2 C5 131.9(2) . . ?
C3 C2 N1 107.41(17) . . ?
N1 C2 C5 120.70(19) . . ?
C2 C3 C6 130.8(2) . . ?
C2 C3 N2 107.24(17) . . ?
N2 C3 C6 121.95(19) . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
N1 C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C3 C6 H6A 109.5 . . ?
C3 C6 H6B 109.5 . . ?
C3 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
N2 C7 H7C 109.5 . . ?
C24 C8 C9 119.07(18) . . ?
N4 C8 C9 113.97(17) . . ?
N4 C8 C24 126.91(18) . . ?
C10 C9 C8 121.30(18) . . ?
C10 C9 C14 117.67(18) . . ?
C14 C9 C8 121.03(18) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 C9 121.67(19) . . ?
C11 C10 H10 119.2 . . ?
C10 C11 H11 120.3 . . ?
C12 C11 C10 119.4(2) . . ?
C12 C11 H11 120.3 . . ?
C11 C12 Br1 118.62(16) . . ?
C13 C12 Br1 120.50(15) . . ?
C13 C12 C11 120.88(19) . . ?
C12 C13 H13 120.5 . . ?
C12 C13 C14 118.93(19) . . ?
C14 C13 H13 120.5 . . ?
C9 C14 H14 119.3 . . ?
C13 C14 C9 121.46(19) . . ?
C13 C14 H14 119.3 . . ?
C16 N5 H5 112.2(14) . . ?
N4 N5 C16 110.69(17) . . ?
N4 N5 H5 109.9(14) . . ?
N5 C16 H16A 108.5 . . ?
N5 C16 H16B 108.5 . . ?
N5 C16 C17 115.13(18) . . ?
H16A C16 H16B 107.5 . . ?
C17 C16 H16A 108.5 . . ?
C17 C16 H16B 108.5 . . ?
C16 C17 H17A 108.9 . . ?
C16 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C18 C17 C16 113.22(19) . . ?
C18 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
C19 C18 C17 121.4(2) . . ?
C19 C18 C23 117.5(2) . . ?
C23 C18 C17 121.0(2) . . ?
C18 C19 H19 119.3 . . ?
C20 C19 C18 121.5(2) . . ?
C20 C19 H19 119.3 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0(3) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 120.4 . . ?
C22 C21 C20 119.3(3) . . ?
C22 C21 H21 120.4 . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 121.0(3) . . ?
C23 C22 H22 119.5 . . ?
C18 C23 H23 119.6 . . ?
C22 C23 C18 120.8(3) . . ?
C22 C23 H23 119.6 . . ?
C1 N1 C2 109.67(16) . . ?
C1 N1 C4 122.47(17) . . ?
C2 N1 C4 123.52(17) . . ?
C1 N2 C3 110.15(16) . . ?
C1 N2 C7 123.03(17) . . ?
C3 N2 C7 126.59(17) . . ?
C1 C24 C8 127.34(19) . . ?
C1 C24 H24 116.7(15) . . ?
C8 C24 H24 115.8(15) . . ?
C8 N4 N5 116.51(16) . . ?

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 C12 C13 C14 179.04(15) . . . . ?
C2 C3 N2 C1 -1.4(2) . . . . ?
C2 C3 N2 C7 173.2(2) . . . . ?
C3 C2 N1 C1 2.3(2) . . . . ?
C3 C2 N1 C4 159.3(2) . . . . ?
C5 C2 C3 C6 2.0(4) . . . . ?
C5 C2 C3 N2 179.5(2) . . . . ?
C5 C2 N1 C1 -177.75(19) . . . . ?
C5 C2 N1 C4 -20.7(3) . . . . ?
C6 C3 N2 C1 176.36(18) . . . . ?
C6 C3 N2 C7 -9.1(3) . . . . ?
C8 C9 C10 C11 -179.8(2) . . . . ?
C8 C9 C14 C13 179.04(19) . . . . ?
C9 C8 C24 C1 -138.4(2) . . . . ?
C9 C8 N4 N5 -177.12(16) . . . . ?
C9 C10 C11 C12 0.5(3) . . . . ?
C10 C9 C14 C13 -1.2(3) . . . . ?
C10 C11 C12 Br1 -179.78(17) . . . . ?
C10 C11 C12 C13 -0.8(3) . . . . ?
C11 C12 C13 C14 0.0(3) . . . . ?
C12 C13 C14 C9 0.9(3) . . . . ?
C14 C9 C10 C11 0.4(3) . . . . ?
N5 C16 C17 C18 -60.9(3) . . . . ?
C16 N5 N4 C8 151.64(18) . . . . ?
C16 C17 C18 C19 -76.0(3) . . . . ?
C16 C17 C18 C23 100.9(3) . . . . ?
C17 C18 C19 C20 177.8(2) . . . . ?
C17 C18 C23 C22 -178.4(2) . . . . ?
C18 C19 C20 C21 0.3(4) . . . . ?
C19 C18 C23 C22 -1.3(4) . . . . ?
C19 C20 C21 C22 -0.8(4) . . . . ?
C20 C21 C22 C23 0.2(4) . . . . ?
C21 C22 C23 C18 0.9(4) . . . . ?
C23 C18 C19 C20 0.7(3) . . . . ?
N1 C1 N2 C3 2.7(2) . . . . ?
N1 C1 N2 C7 -172.05(18) . . . . ?
N1 C1 C24 C8 22.2(4) . . . . ?
N1 C2 C3 C6 -178.0(2) . . . . ?
N1 C2 C3 N2 -0.5(2) . . . . ?
N2 C1 N1 C2 -3.0(2) . . . . ?
N2 C1 N1 C4 -160.34(19) . . . . ?
N2 C1 C24 C8 -162.7(2) . . . . ?
C24 C1 N1 C2 172.8(2) . . . . ?
C24 C1 N1 C4 15.5(3) . . . . ?
C24 C1 N2 C3 -173.3(2) . . . . ?
C24 C1 N2 C7 12.0(3) . . . . ?
C24 C8 C9 C10 26.6(3) . . . . ?
C24 C8 C9 C14 -153.66(19) . . . . ?
C24 C8 N4 N5 0.2(3) . . . . ?
N4 C8 C9 C10 -155.89(19) . . . . ?
N4 C8 C9 C14 23.9(3) . . . . ?
N4 C8 C24 C1 44.4(3) . . . . ?
N4 N5 C16 C17 -64.2(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_exptl_crystal_recrystallization_method 'Re-crystallisation from solvent'
