# 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_os
_database_code_depnum_ccdc_archive 'CCDC 2296438'
loop_
_audit_author_name
_audit_author_address
'SURAJIT DUARI'
;Calcutta University
India
;
_audit_update_record             
;
2023-09-21 deposited with the CCDC.	2024-05-22 downloaded from the CCDC.
;
_audit_creation_date             2023-09-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.12.09 svn.r5202d8cf for OlexSys, GUI svn.r6439)
;
_shelx_SHELXL_version_number     2016/6
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         '2(C14 H11 Cl N2)'
_chemical_formula_sum            'C28 H22 Cl2 N4'
_chemical_formula_weight         485.39
_chemical_absolute_configuration ?
_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'
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      orthorhombic
_space_group_IT_number           33
_space_group_name_H-M_alt        'P n a 21'
_space_group_name_Hall           'P 2c -2n'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   21.144(7)
_cell_length_b                   7.159(2)
_cell_length_c                   15.509(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2347.4(13)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9440
_cell_measurement_temperature    293.15
_cell_measurement_theta_max      27.04
_cell_measurement_theta_min      2.33
_shelx_estimated_absorpt_T_max   0.956
_shelx_estimated_absorpt_T_min   0.840
_exptl_absorpt_coefficient_mu    0.302
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.4219
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1645 before and 0.0976 after correction.
The Ratio of minimum to maximum transmission is 0.5659.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear reddish white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             1008
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.15
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0921
_diffrn_reflns_av_unetI/netI     0.0707
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24620
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.154
_diffrn_reflns_theta_min         2.332
_diffrn_ambient_temperature      293.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.991
_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         0.911
_reflns_Friedel_fraction_full    0.977
_reflns_Friedel_fraction_max     0.973
_reflns_number_gt                3916
_reflns_number_total             5109
_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 V8.38A (Bruker, 2018)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.220
_refine_diff_density_min         -0.267
_refine_diff_density_rms         0.053
_refine_ls_abs_structure_details 
;
 Flack x determined using 1469 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.27(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         5109
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0470
_refine_ls_restrained_S_all      1.063
_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)+(0.0667P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1148
_refine_ls_wR_factor_ref         0.1299
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C9(H9), C10(H10), C12(H12), C13(H13),
 C16(H16), C17(H17), C18(H18), C19(H19), C23(H23), C24(H24), C26(H26), C27(H27)
2.b Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C28(H28A,H28B,H28C)
;
_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
Cl1 Cl 0.13107(5) 0.85277(16) 0.34378(9) 0.0662(4) Uani 1 1 d . . . . .
N1 N 0.38713(14) 0.7793(4) 0.6065(2) 0.0431(8) Uani 1 1 d . . . . .
N2 N 0.48479(14) 0.8201(4) 0.5528(2) 0.0382(7) Uani 1 1 d . . . . .
C1 C 0.44819(17) 0.7824(5) 0.6265(3) 0.0408(9) Uani 1 1 d . . . . .
C2 C 0.4799(2) 0.7537(6) 0.7054(4) 0.0525(11) Uani 1 1 d . . . . .
H2 H 0.456941 0.724982 0.754856 0.063 Uiso 1 1 calc R U . . .
C3 C 0.5442(2) 0.7678(6) 0.7094(3) 0.0553(11) Uani 1 1 d . . . . .
H3 H 0.564930 0.750632 0.761660 0.066 Uiso 1 1 calc R U . . .
C4 C 0.5793(2) 0.8086(6) 0.6341(3) 0.0564(12) Uani 1 1 d . . . . .
H4 H 0.623086 0.819019 0.637296 0.068 Uiso 1 1 calc R U . . .
C5 C 0.54979(18) 0.8327(5) 0.5575(3) 0.0474(10) Uani 1 1 d . . . . .
H5 H 0.573272 0.857639 0.508129 0.057 Uiso 1 1 calc R U . . .
C6 C 0.44392(16) 0.8405(4) 0.4845(3) 0.0379(8) Uani 1 1 d . . . . .
C7 C 0.38446(17) 0.8145(5) 0.5192(3) 0.0374(8) Uani 1 1 d . . . . .
C8 C 0.32273(18) 0.8227(5) 0.4752(3) 0.0378(8) Uani 1 1 d . . . . .
C9 C 0.31581(19) 0.7788(6) 0.3881(3) 0.0487(10) Uani 1 1 d . . . . .
H9 H 0.351107 0.742313 0.356568 0.058 Uiso 1 1 calc R U . . .
C10 C 0.25731(18) 0.7885(6) 0.3475(4) 0.0532(11) Uani 1 1 d . . . . .
H10 H 0.253331 0.759408 0.289284 0.064 Uiso 1 1 calc R U . . .
C11 C 0.20508(17) 0.8422(5) 0.3953(3) 0.0456(10) Uani 1 1 d . . . . .
C12 C 0.20961(17) 0.8837(6) 0.4818(3) 0.0483(10) Uani 1 1 d . . . . .
H12 H 0.173901 0.917083 0.513243 0.058 Uiso 1 1 calc R U . . .
C13 C 0.26857(17) 0.8749(5) 0.5212(3) 0.0452(9) Uani 1 1 d . . . . .
H13 H 0.272125 0.904247 0.579392 0.054 Uiso 1 1 calc R U . . .
C14 C 0.46732(19) 0.8902(6) 0.3966(3) 0.0535(10) Uani 1 1 d . . . . .
H14A H 0.504443 0.966706 0.401528 0.080 Uiso 1 1 calc R U . . .
H14B H 0.435062 0.957755 0.366121 0.080 Uiso 1 1 calc R U . . .
H14C H 0.477508 0.778203 0.365493 0.080 Uiso 1 1 calc R U . . .
Cl2 Cl 0.61694(5) 0.31086(17) 0.65982(9) 0.0683(4) Uani 1 1 d . . . . .
N3 N 0.36109(15) 0.2962(5) 0.3944(3) 0.0461(8) Uani 1 1 d . . . . .
N4 N 0.26402(14) 0.3423(4) 0.4483(2) 0.0399(7) Uani 1 1 d . . . . .
C15 C 0.29992(17) 0.3093(5) 0.3749(3) 0.0422(9) Uani 1 1 d . . . . .
C16 C 0.2682(2) 0.2941(7) 0.2949(3) 0.0568(11) Uani 1 1 d . . . . .
H16 H 0.291001 0.270237 0.244737 0.068 Uiso 1 1 calc R U . . .
C17 C 0.2042(2) 0.3145(6) 0.2916(3) 0.0595(12) Uani 1 1 d . . . . .
H17 H 0.183199 0.306288 0.239010 0.071 Uiso 1 1 calc R U . . .
C18 C 0.16971(19) 0.3482(6) 0.3679(3) 0.0519(11) Uani 1 1 d . . . . .
H18 H 0.126015 0.361633 0.365116 0.062 Uiso 1 1 calc R U . . .
C19 C 0.19901(17) 0.3610(5) 0.4447(3) 0.0463(9) Uani 1 1 d . . . . .
H19 H 0.175823 0.382309 0.494695 0.056 Uiso 1 1 calc R U . . .
C20 C 0.30505(17) 0.3495(5) 0.5180(3) 0.0393(8) Uani 1 1 d . . . . .
C21 C 0.36407(18) 0.3197(5) 0.4827(3) 0.0384(8) Uani 1 1 d . . . . .
C22 C 0.42589(17) 0.3153(5) 0.5269(3) 0.0385(9) Uani 1 1 d . . . . .
C23 C 0.48072(16) 0.3648(5) 0.4827(3) 0.0441(9) Uani 1 1 d . . . . .
H23 H 0.477889 0.400333 0.425173 0.053 Uiso 1 1 calc R U . . .
C24 C 0.53961(18) 0.3622(5) 0.5226(3) 0.0490(10) Uani 1 1 d . . . . .
H24 H 0.575877 0.394382 0.492085 0.059 Uiso 1 1 calc R U . . .
C25 C 0.54327(18) 0.3112(5) 0.6082(3) 0.0468(10) Uani 1 1 d . . . . .
C26 C 0.49017(16) 0.2583(6) 0.6539(4) 0.0506(11) Uani 1 1 d . . . . .
H26 H 0.493410 0.221699 0.711240 0.061 Uiso 1 1 calc R U . . .
C27 C 0.43180(18) 0.2606(5) 0.6127(3) 0.0449(10) Uani 1 1 d . . . . .
H27 H 0.395878 0.224763 0.643116 0.054 Uiso 1 1 calc R U . . .
C28 C 0.28220(17) 0.3932(6) 0.6061(3) 0.0523(10) Uani 1 1 d . . . . .
H28A H 0.247732 0.480182 0.602732 0.078 Uiso 1 1 calc R U . . .
H28B H 0.315995 0.447168 0.639124 0.078 Uiso 1 1 calc R U . . .
H28C H 0.268069 0.280502 0.633616 0.078 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
Cl1 C11 1.759(4) . ?
N1 C1 1.328(4) . ?
N1 C7 1.378(6) . ?
N2 C1 1.406(5) . ?
N2 C5 1.379(5) . ?
N2 C6 1.376(5) . ?
C1 C2 1.411(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.364(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.414(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.353(7) . ?
C5 H5 0.9300 . ?
C6 C7 1.381(5) . ?
C6 C14 1.493(6) . ?
C7 C8 1.474(5) . ?
C8 C9 1.393(6) . ?
C8 C13 1.400(5) . ?
C9 H9 0.9300 . ?
C9 C10 1.390(6) . ?
C10 H10 0.9300 . ?
C10 C11 1.385(6) . ?
C11 C12 1.377(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.389(5) . ?
C13 H13 0.9300 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
Cl2 C25 1.752(4) . ?
N3 C15 1.331(5) . ?
N3 C21 1.382(6) . ?
N4 C15 1.388(5) . ?
N4 C19 1.382(5) . ?
N4 C20 1.387(5) . ?
C15 C16 1.415(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.363(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.411(7) . ?
C18 H18 0.9300 . ?
C18 C19 1.345(6) . ?
C19 H19 0.9300 . ?
C20 C21 1.380(5) . ?
C20 C28 1.483(6) . ?
C21 C22 1.476(5) . ?
C22 C23 1.392(5) . ?
C22 C27 1.393(7) . ?
C23 H23 0.9300 . ?
C23 C24 1.390(5) . ?
C24 H24 0.9300 . ?
C24 C25 1.379(7) . ?
C25 C26 1.381(6) . ?
C26 H26 0.9300 . ?
C26 C27 1.390(5) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 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 N1 C7 105.4(3) . . ?
C5 N2 C1 121.2(4) . . ?
C6 N2 C1 107.5(3) . . ?
C6 N2 C5 131.3(4) . . ?
N1 C1 N2 110.4(3) . . ?
N1 C1 C2 131.5(4) . . ?
N2 C1 C2 118.1(3) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.1(5) . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 119.9 . . ?
C2 C3 C4 120.1(5) . . ?
C4 C3 H3 119.9 . . ?
C3 C4 H4 119.7 . . ?
C5 C4 C3 120.6(4) . . ?
C5 C4 H4 119.7 . . ?
N2 C5 H5 120.1 . . ?
C4 C5 N2 119.8(4) . . ?
C4 C5 H5 120.1 . . ?
N2 C6 C7 104.9(3) . . ?
N2 C6 C14 121.4(3) . . ?
C7 C6 C14 133.7(4) . . ?
N1 C7 C6 111.8(3) . . ?
N1 C7 C8 119.9(3) . . ?
C6 C7 C8 128.3(4) . . ?
C9 C8 C7 122.2(3) . . ?
C9 C8 C13 117.9(4) . . ?
C13 C8 C7 119.9(4) . . ?
C8 C9 H9 119.3 . . ?
C10 C9 C8 121.4(4) . . ?
C10 C9 H9 119.3 . . ?
C9 C10 H10 120.6 . . ?
C11 C10 C9 118.7(5) . . ?
C11 C10 H10 120.6 . . ?
C10 C11 Cl1 118.6(4) . . ?
C12 C11 Cl1 119.7(3) . . ?
C12 C11 C10 121.7(4) . . ?
C11 C12 H12 120.6 . . ?
C11 C12 C13 118.7(4) . . ?
C13 C12 H12 120.6 . . ?
C8 C13 H13 119.3 . . ?
C12 C13 C8 121.5(4) . . ?
C12 C13 H13 119.3 . . ?
C6 C14 H14A 109.5 . . ?
C6 C14 H14B 109.5 . . ?
C6 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C15 N3 C21 105.1(3) . . ?
C19 N4 C15 121.8(4) . . ?
C19 N4 C20 130.5(4) . . ?
C20 N4 C15 107.7(3) . . ?
N3 C15 N4 111.0(4) . . ?
N3 C15 C16 130.8(4) . . ?
N4 C15 C16 118.3(3) . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.6(5) . . ?
C17 C16 H16 120.2 . . ?
C16 C17 H17 120.0 . . ?
C16 C17 C18 120.0(4) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 119.5 . . ?
C19 C18 C17 121.1(4) . . ?
C19 C18 H18 119.5 . . ?
N4 C19 H19 120.4 . . ?
C18 C19 N4 119.2(4) . . ?
C18 C19 H19 120.4 . . ?
N4 C20 C28 121.5(3) . . ?
C21 C20 N4 104.5(3) . . ?
C21 C20 C28 133.9(4) . . ?
N3 C21 C22 119.9(3) . . ?
C20 C21 N3 111.8(3) . . ?
C20 C21 C22 128.3(4) . . ?
C23 C22 C21 120.2(4) . . ?
C23 C22 C27 117.8(4) . . ?
C27 C22 C21 121.9(3) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 C22 121.6(4) . . ?
C24 C23 H23 119.2 . . ?
C23 C24 H24 120.6 . . ?
C25 C24 C23 118.8(4) . . ?
C25 C24 H24 120.6 . . ?
C24 C25 Cl2 119.4(3) . . ?
C24 C25 C26 121.4(4) . . ?
C26 C25 Cl2 119.2(4) . . ?
C25 C26 H26 120.6 . . ?
C25 C26 C27 118.9(5) . . ?
C27 C26 H26 120.6 . . ?
C22 C27 H27 119.3 . . ?
C26 C27 C22 121.5(4) . . ?
C26 C27 H27 119.3 . . ?
C20 C28 H28A 109.5 . . ?
C20 C28 H28B 109.5 . . ?
C20 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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
Cl1 C11 C12 C13 -179.9(3) . . . . ?
N1 C1 C2 C3 -178.9(4) . . . . ?
N1 C7 C8 C9 -152.2(4) . . . . ?
N1 C7 C8 C13 27.4(5) . . . . ?
N2 C1 C2 C3 1.8(6) . . . . ?
N2 C6 C7 N1 0.2(4) . . . . ?
N2 C6 C7 C8 179.4(3) . . . . ?
C1 N1 C7 C6 -0.3(4) . . . . ?
C1 N1 C7 C8 -179.5(3) . . . . ?
C1 N2 C5 C4 0.0(5) . . . . ?
C1 N2 C6 C7 0.0(4) . . . . ?
C1 N2 C6 C14 177.3(3) . . . . ?
C1 C2 C3 C4 -1.0(6) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
C3 C4 C5 N2 1.0(6) . . . . ?
C5 N2 C1 N1 179.2(3) . . . . ?
C5 N2 C1 C2 -1.4(5) . . . . ?
C5 N2 C6 C7 -179.3(3) . . . . ?
C5 N2 C6 C14 -2.0(5) . . . . ?
C6 N2 C1 N1 -0.1(4) . . . . ?
C6 N2 C1 C2 179.3(3) . . . . ?
C6 N2 C5 C4 179.1(4) . . . . ?
C6 C7 C8 C9 28.7(5) . . . . ?
C6 C7 C8 C13 -151.7(4) . . . . ?
C7 N1 C1 N2 0.2(4) . . . . ?
C7 N1 C1 C2 -179.1(4) . . . . ?
C7 C8 C9 C10 -179.6(4) . . . . ?
C7 C8 C13 C12 -179.9(3) . . . . ?
C8 C9 C10 C11 -0.3(6) . . . . ?
C9 C8 C13 C12 -0.2(5) . . . . ?
C9 C10 C11 Cl1 -179.6(3) . . . . ?
C9 C10 C11 C12 -0.8(6) . . . . ?
C10 C11 C12 C13 1.3(6) . . . . ?
C11 C12 C13 C8 -0.8(6) . . . . ?
C13 C8 C9 C10 0.8(6) . . . . ?
C14 C6 C7 N1 -176.6(4) . . . . ?
C14 C6 C7 C8 2.6(6) . . . . ?
Cl2 C25 C26 C27 179.4(3) . . . . ?
N3 C15 C16 C17 -179.5(4) . . . . ?
N3 C21 C22 C23 26.6(5) . . . . ?
N3 C21 C22 C27 -152.7(4) . . . . ?
N4 C15 C16 C17 0.9(6) . . . . ?
N4 C20 C21 N3 0.5(4) . . . . ?
N4 C20 C21 C22 179.0(3) . . . . ?
C15 N3 C21 C20 -0.7(4) . . . . ?
C15 N3 C21 C22 -179.3(3) . . . . ?
C15 N4 C19 C18 -0.4(5) . . . . ?
C15 N4 C20 C21 -0.2(4) . . . . ?
C15 N4 C20 C28 176.6(3) . . . . ?
C15 C16 C17 C18 -0.9(7) . . . . ?
C16 C17 C18 C19 0.1(7) . . . . ?
C17 C18 C19 N4 0.5(6) . . . . ?
C19 N4 C15 N3 -179.9(3) . . . . ?
C19 N4 C15 C16 -0.3(5) . . . . ?
C19 N4 C20 C21 179.4(3) . . . . ?
C19 N4 C20 C28 -3.8(6) . . . . ?
C20 N4 C15 N3 -0.3(4) . . . . ?
C20 N4 C15 C16 179.4(4) . . . . ?
C20 N4 C19 C18 -180.0(4) . . . . ?
C20 C21 C22 C23 -151.7(4) . . . . ?
C20 C21 C22 C27 29.0(5) . . . . ?
C21 N3 C15 N4 0.6(4) . . . . ?
C21 N3 C15 C16 -179.0(4) . . . . ?
C21 C22 C23 C24 179.9(3) . . . . ?
C21 C22 C27 C26 -179.5(3) . . . . ?
C22 C23 C24 C25 -0.7(6) . . . . ?
C23 C22 C27 C26 1.2(6) . . . . ?
C23 C24 C25 Cl2 -179.0(3) . . . . ?
C23 C24 C25 C26 1.7(6) . . . . ?
C24 C25 C26 C27 -1.3(6) . . . . ?
C25 C26 C27 C22 -0.2(6) . . . . ?
C27 C22 C23 C24 -0.7(5) . . . . ?
C28 C20 C21 N3 -175.7(4) . . . . ?
C28 C20 C21 C22 2.8(6) . . . . ?

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