# Electronic Supplementary Material (ESI) for Organic & Biomolecular Chemistry.
# This journal is © The Royal Society of Chemistry 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 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_KB1033_0m
_database_code_depnum_ccdc_archive 'CCDC 2294878'
loop_
_audit_author_name
_audit_author_address
'Sridhar Balasubramanian'
;CSIR Indian Institute of Chemical Technology
India
;
_audit_update_record             
;
2023-09-14 deposited with the CCDC.	2024-01-12 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H18 Br Cl N2 O2'
_chemical_formula_sum            'C23 H18 Br Cl N2 O2'
_chemical_formula_weight         469.75

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'
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'
Cl Cl 0.1484 0.1585 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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.
;

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                   12.9798(5)
_cell_length_b                   8.3982(3)
_cell_length_c                   18.9108(8)
_cell_angle_alpha                90
_cell_angle_beta                 104.1125(19)
_cell_angle_gamma                90
_cell_volume                     1999.19(14)
_cell_formula_units_Z            4
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    9945
_cell_measurement_theta_min      2.221
_cell_measurement_theta_max      26.324

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_F_000             952
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    2.212
_shelx_estimated_absorpt_T_min   0.576
_shelx_estimated_absorpt_T_max   0.666
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4776
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_diffrn_ambient_temperature      294(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-100'
_diffrn_measurement_method       'ω and φ'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            36237
_diffrn_reflns_av_unetI/netI     0.0599
_diffrn_reflns_av_R_equivalents  0.0777
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         2.221
_diffrn_reflns_theta_max         30.526
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.997
_reflns_number_total             6068
_reflns_number_gt                3860
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0418P)²+0.8782P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6068
_refine_ls_number_parameters     262
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0434
_refine_ls_wR_factor_ref         0.1175
_refine_ls_wR_factor_gt          0.0986
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_restrained_S_all      1.012
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.55305(19) 0.5166(3) 0.67625(12) 0.0415(5) Uani 1 1 d . . . . .
C2 C 0.6419(2) 0.5538(3) 0.65010(14) 0.0475(6) Uani 1 1 d . . . . .
H2 H 0.709334 0.523295 0.676158 0.057 Uiso 1 1 calc R U . . .
C3 C 0.62915(19) 0.6351(3) 0.58617(15) 0.0463(6) Uani 1 1 d . . . . .
H3 H 0.688396 0.660019 0.568867 0.056 Uiso 1 1 calc R U . . .
C4 C 0.52691(17) 0.6822(3) 0.54569(12) 0.0364(5) Uani 1 1 d . . . . .
C5 C 0.43771(17) 0.6400(2) 0.57235(11) 0.0338(4) Uani 1 1 d . . . . .
C6 C 0.45289(18) 0.5572(3) 0.63927(12) 0.0375(5) Uani 1 1 d . . . . .
H6 H 0.395003 0.530740 0.657793 0.045 Uiso 1 1 calc R U . . .
C7 C 0.50415(18) 0.7706(3) 0.47991(12) 0.0378(5) Uani 1 1 d . . . . .
C8 C 0.40320(18) 0.8089(3) 0.44273(11) 0.0370(5) Uani 1 1 d . . . . .
C9 C 0.3805(2) 0.9111(3) 0.37507(13) 0.0482(6) Uani 1 1 d . . . . .
H9A H 0.419469 0.868269 0.341645 0.058 Uiso 1 1 calc R U . . .
H9B H 0.407505 1.017348 0.388598 0.058 Uiso 1 1 calc R U . . .
C10 C 0.2637(2) 0.9242(4) 0.33504(14) 0.0584(7) Uani 1 1 d . . . . .
H10A H 0.244334 0.833413 0.302808 0.070 Uiso 1 1 calc R U . . .
H10B H 0.253197 1.019729 0.305342 0.070 Uiso 1 1 calc R U . . .
C11 C 0.1917(2) 0.9300(3) 0.38779(14) 0.0519(6) Uani 1 1 d . . . . .
H11A H 0.118297 0.941952 0.360896 0.062 Uiso 1 1 calc R U . . .
H11B H 0.210505 1.020382 0.420326 0.062 Uiso 1 1 calc R U . . .
C12 C 0.20521(17) 0.7755(3) 0.43184(11) 0.0388(5) Uani 1 1 d . . . . .
H12 H 0.188603 0.688689 0.396257 0.047 Uiso 1 1 calc R U . . .
C13 C 0.31960(17) 0.7518(2) 0.47318(11) 0.0346(4) Uani 1 1 d . . . . .
C14 C 0.12708(17) 0.7595(3) 0.48065(12) 0.0383(5) Uani 1 1 d . . . . .
H14 H 0.055725 0.779414 0.449975 0.046 Uiso 1 1 calc R U . . .
C15 C 0.1425(2) 0.8699(3) 0.54690(13) 0.0429(5) Uani 1 1 d . . . . .
H15A H 0.212180 0.919066 0.557266 0.051 Uiso 1 1 calc R U . . .
H15B H 0.089007 0.953087 0.538209 0.051 Uiso 1 1 calc R U . . .
C16 C 0.13143(18) 0.7651(3) 0.60944(13) 0.0397(5) Uani 1 1 d . . . . .
C17 C 0.12668(16) 0.5935(3) 0.51221(12) 0.0352(5) Uani 1 1 d . . . . .
C18 C 0.11829(16) 0.4735(3) 0.63080(11) 0.0342(4) Uani 1 1 d . . . . .
C19 C 0.04343(18) 0.4684(3) 0.67187(12) 0.0405(5) Uani 1 1 d . . . . .
H19 H -0.003153 0.553051 0.670704 0.049 Uiso 1 1 calc R U . . .
C20 C 0.0385(2) 0.3363(3) 0.71468(13) 0.0490(6) Uani 1 1 d . . . . .
H20 H -0.010973 0.332796 0.742920 0.059 Uiso 1 1 calc R U . . .
C21 C 0.1065(2) 0.2100(3) 0.71561(14) 0.0519(6) Uani 1 1 d . . . . .
H21 H 0.102239 0.120864 0.743944 0.062 Uiso 1 1 calc R U . . .
C22 C 0.1810(2) 0.2155(3) 0.67450(14) 0.0501(6) Uani 1 1 d . . . . .
H22 H 0.226838 0.130043 0.675198 0.060 Uiso 1 1 calc R U . . .
C23 C 0.18769(18) 0.3477(3) 0.63239(13) 0.0413(5) Uani 1 1 d . . . . .
H23 H 0.238519 0.352135 0.605263 0.050 Uiso 1 1 calc R U . . .
N1 N 0.33585(14) 0.6743(2) 0.53569(9) 0.0351(4) Uani 1 1 d . . . . .
N2 N 0.12267(14) 0.6079(2) 0.58524(9) 0.0338(4) Uani 1 1 d . . . . .
O1 O 0.12497(13) 0.4685(2) 0.48054(9) 0.0455(4) Uani 1 1 d . . . . .
O2 O 0.13155(17) 0.8066(2) 0.67060(10) 0.0593(5) Uani 1 1 d . . . . .
Cl1 Cl 0.61053(5) 0.83668(8) 0.44646(4) 0.05540(18) Uani 1 1 d . . . . .
Br1 Br 0.57192(2) 0.40280(3) 0.76558(2) 0.05985(12) Uani 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
C1 C6 1.361(3) . ?
C1 C2 1.396(4) . ?
C1 Br1 1.904(2) . ?
C2 C3 1.363(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.417(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.416(3) . ?
C4 C7 1.416(3) . ?
C5 N1 1.366(3) . ?
C5 C6 1.415(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.366(3) . ?
C7 Cl1 1.744(2) . ?
C8 C13 1.429(3) . ?
C8 C9 1.509(3) . ?
C9 C10 1.524(4) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 C11 1.525(4) . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.528(3) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 C13 1.513(3) . ?
C12 C14 1.535(3) . ?
C12 H12 0.9800 . ?
C13 N1 1.321(3) . ?
C14 C17 1.517(3) . ?
C14 C15 1.532(3) . ?
C14 H14 0.9800 . ?
C15 C16 1.509(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 O2 1.207(3) . ?
C16 N2 1.393(3) . ?
C17 O1 1.207(3) . ?
C17 N2 1.400(3) . ?
C18 C23 1.384(3) . ?
C18 C19 1.385(3) . ?
C18 N2 1.429(3) . ?
C19 C20 1.384(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.378(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.382(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.381(3) . ?
C22 H22 0.9300 . ?
C23 H23 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
C6 C1 C2 122.0(2) . . ?
C6 C1 Br1 118.79(19) . . ?
C2 C1 Br1 119.20(18) . . ?
C3 C2 C1 119.6(2) . . ?
C3 C2 H2 120.2 . . ?
C1 C2 H2 120.2 . . ?
C2 C3 C4 120.9(2) . . ?
C2 C3 H3 119.5 . . ?
C4 C3 H3 119.5 . . ?
C5 C4 C7 115.5(2) . . ?
C5 C4 C3 118.5(2) . . ?
C7 C4 C3 126.0(2) . . ?
N1 C5 C6 117.66(19) . . ?
N1 C5 C4 122.7(2) . . ?
C6 C5 C4 119.6(2) . . ?
C1 C6 C5 119.3(2) . . ?
C1 C6 H6 120.3 . . ?
C5 C6 H6 120.3 . . ?
C8 C7 C4 122.95(19) . . ?
C8 C7 Cl1 118.92(18) . . ?
C4 C7 Cl1 118.12(17) . . ?
C7 C8 C13 116.2(2) . . ?
C7 C8 C9 122.3(2) . . ?
C13 C8 C9 121.4(2) . . ?
C8 C9 C10 115.3(2) . . ?
C8 C9 H9A 108.5 . . ?
C10 C9 H9A 108.5 . . ?
C8 C9 H9B 108.5 . . ?
C10 C9 H9B 108.5 . . ?
H9A C9 H9B 107.5 . . ?
C9 C10 C11 111.8(2) . . ?
C9 C10 H10A 109.3 . . ?
C11 C10 H10A 109.3 . . ?
C9 C10 H10B 109.3 . . ?
C11 C10 H10B 109.3 . . ?
H10A C10 H10B 107.9 . . ?
C10 C11 C12 108.8(2) . . ?
C10 C11 H11A 109.9 . . ?
C12 C11 H11A 109.9 . . ?
C10 C11 H11B 109.9 . . ?
C12 C11 H11B 109.9 . . ?
H11A C11 H11B 108.3 . . ?
C13 C12 C11 111.14(19) . . ?
C13 C12 C14 112.76(17) . . ?
C11 C12 C14 113.4(2) . . ?
C13 C12 H12 106.3 . . ?
C11 C12 H12 106.3 . . ?
C14 C12 H12 106.3 . . ?
N1 C13 C8 123.7(2) . . ?
N1 C13 C12 116.72(19) . . ?
C8 C13 C12 119.57(19) . . ?
C17 C14 C15 104.29(17) . . ?
C17 C14 C12 112.56(18) . . ?
C15 C14 C12 117.71(19) . . ?
C17 C14 H14 107.3 . . ?
C15 C14 H14 107.3 . . ?
C12 C14 H14 107.3 . . ?
C16 C15 C14 105.63(18) . . ?
C16 C15 H15A 110.6 . . ?
C14 C15 H15A 110.6 . . ?
C16 C15 H15B 110.6 . . ?
C14 C15 H15B 110.6 . . ?
H15A C15 H15B 108.7 . . ?
O2 C16 N2 124.7(2) . . ?
O2 C16 C15 127.2(2) . . ?
N2 C16 C15 108.13(19) . . ?
O1 C17 N2 124.3(2) . . ?
O1 C17 C14 127.3(2) . . ?
N2 C17 C14 108.28(18) . . ?
C23 C18 C19 120.4(2) . . ?
C23 C18 N2 119.64(19) . . ?
C19 C18 N2 119.9(2) . . ?
C20 C19 C18 119.5(2) . . ?
C20 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C21 C20 C19 120.2(2) . . ?
C21 C20 H20 119.9 . . ?
C19 C20 H20 119.9 . . ?
C20 C21 C22 120.1(2) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 H21 119.9 . . ?
C23 C22 C21 120.1(2) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C18 119.6(2) . . ?
C22 C23 H23 120.2 . . ?
C18 C23 H23 120.2 . . ?
C13 N1 C5 118.81(19) . . ?
C16 N2 C17 112.69(18) . . ?
C16 N2 C18 124.22(18) . . ?
C17 N2 C18 122.92(17) . . ?

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
C6 C1 C2 C3 0.9(4) . . . . ?
Br1 C1 C2 C3 179.94(18) . . . . ?
C1 C2 C3 C4 -0.1(4) . . . . ?
C2 C3 C4 C5 -1.3(3) . . . . ?
C2 C3 C4 C7 178.1(2) . . . . ?
C7 C4 C5 N1 3.3(3) . . . . ?
C3 C4 C5 N1 -177.2(2) . . . . ?
C7 C4 C5 C6 -177.47(19) . . . . ?
C3 C4 C5 C6 2.0(3) . . . . ?
C2 C1 C6 C5 -0.2(3) . . . . ?
Br1 C1 C6 C5 -179.20(15) . . . . ?
N1 C5 C6 C1 178.0(2) . . . . ?
C4 C5 C6 C1 -1.3(3) . . . . ?
C5 C4 C7 C8 -2.1(3) . . . . ?
C3 C4 C7 C8 178.4(2) . . . . ?
C5 C4 C7 Cl1 176.41(15) . . . . ?
C3 C4 C7 Cl1 -3.1(3) . . . . ?
C4 C7 C8 C13 -1.2(3) . . . . ?
Cl1 C7 C8 C13 -179.68(15) . . . . ?
C4 C7 C8 C9 176.4(2) . . . . ?
Cl1 C7 C8 C9 -2.1(3) . . . . ?
C7 C8 C9 C10 172.4(2) . . . . ?
C13 C8 C9 C10 -10.2(3) . . . . ?
C8 C9 C10 C11 37.0(3) . . . . ?
C9 C10 C11 C12 -61.5(3) . . . . ?
C10 C11 C12 C13 58.4(3) . . . . ?
C10 C11 C12 C14 -173.3(2) . . . . ?
C7 C8 C13 N1 3.9(3) . . . . ?
C9 C8 C13 N1 -173.7(2) . . . . ?
C7 C8 C13 C12 -174.30(19) . . . . ?
C9 C8 C13 C12 8.1(3) . . . . ?
C11 C12 C13 N1 149.3(2) . . . . ?
C14 C12 C13 N1 20.6(3) . . . . ?
C11 C12 C13 C8 -32.4(3) . . . . ?
C14 C12 C13 C8 -161.09(19) . . . . ?
C13 C12 C14 C17 -63.8(2) . . . . ?
C11 C12 C14 C17 168.70(19) . . . . ?
C13 C12 C14 C15 57.5(3) . . . . ?
C11 C12 C14 C15 -70.0(3) . . . . ?
C17 C14 C15 C16 -9.3(2) . . . . ?
C12 C14 C15 C16 -134.8(2) . . . . ?
C14 C15 C16 O2 -175.0(2) . . . . ?
C14 C15 C16 N2 6.0(2) . . . . ?
C15 C14 C17 O1 -173.7(2) . . . . ?
C12 C14 C17 O1 -45.0(3) . . . . ?
C15 C14 C17 N2 9.6(2) . . . . ?
C12 C14 C17 N2 138.28(18) . . . . ?
C23 C18 C19 C20 0.0(3) . . . . ?
N2 C18 C19 C20 178.7(2) . . . . ?
C18 C19 C20 C21 -0.9(4) . . . . ?
C19 C20 C21 C22 0.9(4) . . . . ?
C20 C21 C22 C23 0.1(4) . . . . ?
C21 C22 C23 C18 -0.9(4) . . . . ?
C19 C18 C23 C22 0.9(3) . . . . ?
N2 C18 C23 C22 -177.8(2) . . . . ?
C8 C13 N1 C5 -2.9(3) . . . . ?
C12 C13 N1 C5 175.34(18) . . . . ?
C6 C5 N1 C13 179.84(19) . . . . ?
C4 C5 N1 C13 -0.9(3) . . . . ?
O2 C16 N2 C17 -178.9(2) . . . . ?
C15 C16 N2 C17 0.1(2) . . . . ?
O2 C16 N2 C18 -3.5(4) . . . . ?
C15 C16 N2 C18 175.50(19) . . . . ?
O1 C17 N2 C16 176.9(2) . . . . ?
C14 C17 N2 C16 -6.3(2) . . . . ?
O1 C17 N2 C18 1.4(3) . . . . ?
C14 C17 N2 C18 178.22(18) . . . . ?
C23 C18 N2 C16 -127.5(2) . . . . ?
C19 C18 N2 C16 53.8(3) . . . . ?
C23 C18 N2 C17 47.4(3) . . . . ?
C19 C18 N2 C17 -131.2(2) . . . . ?

_refine_diff_density_max         0.855
_refine_diff_density_min         -0.724
_refine_diff_density_rms         0.073

