# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2024

####################################################################### 
# 
# 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_229_180523_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2296386'
loop_
_audit_author_name
_audit_author_address
'Sampath Natarajan'
;SASTRA Deemed University
India
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2023-12-26 downloaded from the CCDC.
;
_audit_creation_date             2023-09-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C23 H20 Br N O2'
_chemical_formula_sum            'C23 H20 Br N O2'
_chemical_formula_weight         422.31
_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2857(6)
_cell_length_b                   9.3554(6)
_cell_length_c                   12.1715(8)
_cell_angle_alpha                74.363(2)
_cell_angle_beta                 76.108(2)
_cell_angle_gamma                89.435(2)
_cell_volume                     986.74(11)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    7654
_cell_measurement_temperature    293
_cell_measurement_theta_max      21.79
_cell_measurement_theta_min      2.26
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    2.100
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6706
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0822 before and 0.0528 after correction.
The Ratio of minimum to maximum transmission is 0.8993.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.421
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.151
_exptl_crystal_size_mid          0.117
_exptl_crystal_size_min          0.097
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0488
_diffrn_reflns_av_unetI/netI     0.0493
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            28376
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.279
_diffrn_reflns_theta_min         2.263
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_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                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_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                2531
_reflns_number_total             4883
_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 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    ?
_refine_diff_density_max         0.442
_refine_diff_density_min         -0.531
_refine_diff_density_rms         0.043
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4883
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1095
_refine_ls_R_factor_gt           0.0429
_refine_ls_restrained_S_all      1.003
_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)+(0.0451P)²+0.3767P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.1199
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B)
2.b Aromatic/amide H refined with riding coordinates:
 N1(H1), C5(H5), C7(H7), C8(H8), C11(H11), C13(H13), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19)
2.c Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C)
;
_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 0.17824(4) 0.17846(4) 0.48549(3) 0.0987(2) Uani 1 1 d . . . . .
O1 O 0.2757(2) 0.7279(2) -0.16248(19) 0.0732(6) Uani 1 1 d . . . . .
O2 O 0.19086(18) 0.5523(2) -0.00126(17) 0.0579(5) Uani 1 1 d . . . . .
N1 N 0.5104(2) 0.9066(2) -0.1859(2) 0.0594(6) Uani 1 1 d . . . . .
H1 H 0.440080 0.886030 -0.215040 0.071 Uiso 1 1 calc R U . . .
C1 C 0.2936(3) 0.6657(3) -0.0661(3) 0.0538(7) Uani 1 1 d . . . . .
C2 C 0.4113(3) 0.6988(3) -0.0153(2) 0.0463(6) Uani 1 1 d . . . . .
C3 C 0.4230(2) 0.6101(3) 0.0958(2) 0.0448(6) Uani 1 1 d . . . . .
C4 C 0.3081(3) 0.4913(3) 0.1606(2) 0.0476(6) Uani 1 1 d . . . . .
C5 C 0.3013(3) 0.4006(3) 0.2736(2) 0.0561(7) Uani 1 1 d . . . . .
H5 H 0.374861 0.411920 0.311225 0.067 Uiso 1 1 calc R U . . .
C6 C 0.1864(3) 0.2946(3) 0.3300(3) 0.0616(7) Uani 1 1 d . . . . .
C7 C 0.0768(3) 0.2727(3) 0.2760(3) 0.0655(8) Uani 1 1 d . . . . .
H7 H 0.000717 0.199633 0.314772 0.079 Uiso 1 1 calc R U . . .
C8 C 0.0815(3) 0.3594(3) 0.1653(3) 0.0616(8) Uani 1 1 d . . . . .
H8 H 0.008680 0.345764 0.127753 0.074 Uiso 1 1 calc R U . . .
C9 C 0.1956(3) 0.4680(3) 0.1092(2) 0.0514(6) Uani 1 1 d . . . . .
C10 C 0.5182(3) 0.8192(3) -0.0797(2) 0.0477(6) Uani 1 1 d . . . . .
C11 C 0.6328(3) 0.8439(3) -0.0289(2) 0.0492(6) Uani 1 1 d . . . . .
H11 H 0.702223 0.923041 -0.068763 0.059 Uiso 1 1 calc R U . . .
C12 C 0.6460(2) 0.7545(3) 0.0783(2) 0.0457(6) Uani 1 1 d . . . . .
C13 C 0.5404(3) 0.6380(3) 0.1405(2) 0.0481(6) Uani 1 1 d . . . . .
H13 H 0.548940 0.578105 0.212966 0.058 Uiso 1 1 calc R U . . .
C14 C 0.7711(3) 0.7821(3) 0.1283(2) 0.0473(6) Uani 1 1 d . . . . .
C15 C 0.8225(3) 0.9261(3) 0.1148(2) 0.0583(7) Uani 1 1 d . . . . .
H15 H 0.778888 1.006044 0.073586 0.070 Uiso 1 1 calc R U . . .
C16 C 0.9375(3) 0.9520(4) 0.1617(3) 0.0698(9) Uani 1 1 d . . . . .
H16 H 0.971265 1.049044 0.151649 0.084 Uiso 1 1 calc R U . . .
C17 C 1.0016(3) 0.8360(4) 0.2228(3) 0.0723(9) Uani 1 1 d . . . . .
H17 H 1.078444 0.854233 0.255012 0.087 Uiso 1 1 calc R U . . .
C18 C 0.9538(3) 0.6919(4) 0.2371(3) 0.0688(8) Uani 1 1 d . . . . .
H18 H 0.998498 0.612979 0.278493 0.083 Uiso 1 1 calc R U . . .
C19 C 0.8387(3) 0.6651(3) 0.1897(2) 0.0571(7) Uani 1 1 d . . . . .
H19 H 0.806496 0.567715 0.199050 0.068 Uiso 1 1 calc R U . . .
C20 C 0.6124(3) 1.0325(3) -0.2539(3) 0.0610(7) Uani 1 1 d . . . . .
H20A H 0.711120 0.998168 -0.276735 0.073 Uiso 1 1 calc R U . . .
H20B H 0.616823 1.099031 -0.205746 0.073 Uiso 1 1 calc R U . . .
C21 C 0.5648(4) 1.1154(4) -0.3621(3) 0.0780(9) Uani 1 1 d . . . . .
H21A H 0.467071 1.151729 -0.339259 0.094 Uiso 1 1 calc R U . . .
H21B H 0.558323 1.048387 -0.409467 0.094 Uiso 1 1 calc R U . . .
C22 C 0.6758(5) 1.2474(5) -0.4357(3) 0.1107(13) Uani 1 1 d . . . . .
H22A H 0.683302 1.312660 -0.387224 0.133 Uiso 1 1 calc R U . . .
H22B H 0.773052 1.210083 -0.458565 0.133 Uiso 1 1 calc R U . . .
C23 C 0.6334(7) 1.3334(7) -0.5417(5) 0.184(3) Uani 1 1 d . . . . .
H23A H 0.702768 1.417478 -0.581032 0.275 Uiso 1 1 calc R U . . .
H23B H 0.535470 1.367259 -0.520062 0.275 Uiso 1 1 calc R U . . .
H23C H 0.634341 1.271806 -0.593420 0.275 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 C6 1.896(3) . ?
O1 C1 1.211(3) . ?
O2 C1 1.366(3) . ?
O2 C9 1.374(3) . ?
N1 H1 0.8600 . ?
N1 C10 1.348(3) . ?
N1 C20 1.446(3) . ?
C1 C2 1.452(3) . ?
C2 C3 1.411(3) . ?
C2 C10 1.428(3) . ?
C3 C4 1.464(3) . ?
C3 C13 1.385(3) . ?
C4 C5 1.396(4) . ?
C4 C9 1.386(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.377(4) . ?
C6 C7 1.380(4) . ?
C7 H7 0.9300 . ?
C7 C8 1.364(4) . ?
C8 H8 0.9300 . ?
C8 C9 1.386(4) . ?
C10 C11 1.403(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.379(3) . ?
C12 C13 1.394(3) . ?
C12 C14 1.488(3) . ?
C13 H13 0.9300 . ?
C14 C15 1.388(4) . ?
C14 C19 1.386(4) . ?
C15 H15 0.9300 . ?
C15 C16 1.377(4) . ?
C16 H16 0.9300 . ?
C16 C17 1.360(4) . ?
C17 H17 0.9300 . ?
C17 C18 1.375(4) . ?
C18 H18 0.9300 . ?
C18 C19 1.386(4) . ?
C19 H19 0.9300 . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C20 C21 1.501(4) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 C22 1.541(5) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 C23 1.464(6) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?

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
C1 O2 C9 122.58(19) . . ?
C10 N1 H1 117.8 . . ?
C10 N1 C20 124.3(2) . . ?
C20 N1 H1 117.8 . . ?
O1 C1 O2 114.7(2) . . ?
O1 C1 C2 126.8(2) . . ?
O2 C1 C2 118.4(2) . . ?
C3 C2 C1 120.3(2) . . ?
C3 C2 C10 120.0(2) . . ?
C10 C2 C1 119.7(2) . . ?
C2 C3 C4 118.1(2) . . ?
C13 C3 C2 119.7(2) . . ?
C13 C3 C4 122.2(2) . . ?
C5 C4 C3 124.2(2) . . ?
C9 C4 C3 118.9(2) . . ?
C9 C4 C5 116.9(2) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 C4 120.5(2) . . ?
C6 C5 H5 119.8 . . ?
C5 C6 Br1 119.0(2) . . ?
C5 C6 C7 121.4(3) . . ?
C7 C6 Br1 119.7(2) . . ?
C6 C7 H7 120.4 . . ?
C8 C7 C6 119.2(3) . . ?
C8 C7 H7 120.4 . . ?
C7 C8 H8 120.2 . . ?
C7 C8 C9 119.5(3) . . ?
C9 C8 H8 120.2 . . ?
O2 C9 C4 121.5(2) . . ?
O2 C9 C8 116.0(2) . . ?
C8 C9 C4 122.5(3) . . ?
N1 C10 C2 121.7(2) . . ?
N1 C10 C11 120.7(2) . . ?
C11 C10 C2 117.7(2) . . ?
C10 C11 H11 118.9 . . ?
C12 C11 C10 122.1(2) . . ?
C12 C11 H11 118.9 . . ?
C11 C12 C13 119.5(2) . . ?
C11 C12 C14 120.6(2) . . ?
C13 C12 C14 119.9(2) . . ?
C3 C13 C12 120.9(2) . . ?
C3 C13 H13 119.5 . . ?
C12 C13 H13 119.5 . . ?
C15 C14 C12 120.6(2) . . ?
C19 C14 C12 121.0(2) . . ?
C19 C14 C15 118.4(2) . . ?
C14 C15 H15 119.6 . . ?
C16 C15 C14 120.8(3) . . ?
C16 C15 H15 119.6 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.1(3) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.7 . . ?
C16 C17 C18 120.5(3) . . ?
C18 C17 H17 119.7 . . ?
C17 C18 H18 120.2 . . ?
C17 C18 C19 119.6(3) . . ?
C19 C18 H18 120.2 . . ?
C14 C19 H19 119.7 . . ?
C18 C19 C14 120.6(3) . . ?
C18 C19 H19 119.7 . . ?
N1 C20 H20A 109.4 . . ?
N1 C20 H20B 109.4 . . ?
N1 C20 C21 111.2(2) . . ?
H20A C20 H20B 108.0 . . ?
C21 C20 H20A 109.4 . . ?
C21 C20 H20B 109.4 . . ?
C20 C21 H21A 109.4 . . ?
C20 C21 H21B 109.4 . . ?
C20 C21 C22 111.0(3) . . ?
H21A C21 H21B 108.0 . . ?
C22 C21 H21A 109.4 . . ?
C22 C21 H21B 109.4 . . ?
C21 C22 H22A 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C23 C22 C21 113.2(4) . . ?
C23 C22 H22A 108.9 . . ?
C23 C22 H22B 108.9 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?

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 C6 C7 C8 178.3(2) . . . . ?
O1 C1 C2 C3 -176.0(3) . . . . ?
O1 C1 C2 C10 2.2(4) . . . . ?
O2 C1 C2 C3 3.4(4) . . . . ?
O2 C1 C2 C10 -178.4(2) . . . . ?
N1 C10 C11 C12 -178.5(2) . . . . ?
N1 C20 C21 C22 -178.7(3) . . . . ?
C1 O2 C9 C4 -1.6(4) . . . . ?
C1 O2 C9 C8 178.4(2) . . . . ?
C1 C2 C3 C4 -3.9(3) . . . . ?
C1 C2 C3 C13 176.5(2) . . . . ?
C1 C2 C10 N1 2.0(4) . . . . ?
C1 C2 C10 C11 -177.9(2) . . . . ?
C2 C3 C4 C5 -176.4(2) . . . . ?
C2 C3 C4 C9 1.8(3) . . . . ?
C2 C3 C13 C12 1.3(4) . . . . ?
C2 C10 C11 C12 1.4(4) . . . . ?
C3 C2 C10 N1 -179.8(2) . . . . ?
C3 C2 C10 C11 0.3(3) . . . . ?
C3 C4 C5 C6 177.8(2) . . . . ?
C3 C4 C9 O2 0.9(4) . . . . ?
C3 C4 C9 C8 -179.0(2) . . . . ?
C4 C3 C13 C12 -178.2(2) . . . . ?
C4 C5 C6 Br1 -177.93(19) . . . . ?
C4 C5 C6 C7 1.3(4) . . . . ?
C5 C4 C9 O2 179.3(2) . . . . ?
C5 C4 C9 C8 -0.7(4) . . . . ?
C5 C6 C7 C8 -0.9(4) . . . . ?
C6 C7 C8 C9 -0.2(4) . . . . ?
C7 C8 C9 O2 -178.9(2) . . . . ?
C7 C8 C9 C4 1.1(4) . . . . ?
C9 O2 C1 O1 178.9(2) . . . . ?
C9 O2 C1 C2 -0.6(3) . . . . ?
C9 C4 C5 C6 -0.5(4) . . . . ?
C10 N1 C20 C21 -174.4(3) . . . . ?
C10 C2 C3 C4 177.9(2) . . . . ?
C10 C2 C3 C13 -1.6(3) . . . . ?
C10 C11 C12 C13 -1.8(4) . . . . ?
C10 C11 C12 C14 178.7(2) . . . . ?
C11 C12 C13 C3 0.4(4) . . . . ?
C11 C12 C14 C15 37.4(3) . . . . ?
C11 C12 C14 C19 -142.8(3) . . . . ?
C12 C14 C15 C16 179.5(2) . . . . ?
C12 C14 C19 C18 -179.2(2) . . . . ?
C13 C3 C4 C5 3.1(4) . . . . ?
C13 C3 C4 C9 -178.7(2) . . . . ?
C13 C12 C14 C15 -142.2(3) . . . . ?
C13 C12 C14 C19 37.6(3) . . . . ?
C14 C12 C13 C3 180.0(2) . . . . ?
C14 C15 C16 C17 -0.4(4) . . . . ?
C15 C14 C19 C18 0.6(4) . . . . ?
C15 C16 C17 C18 0.7(5) . . . . ?
C16 C17 C18 C19 -0.4(5) . . . . ?
C17 C18 C19 C14 -0.3(4) . . . . ?
C19 C14 C15 C16 -0.3(4) . . . . ?
C20 N1 C10 C2 178.2(2) . . . . ?
C20 N1 C10 C11 -2.0(4) . . . . ?
C20 C21 C22 C23 -179.2(4) . . . . ?

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