# 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 
# this file and to allow appropriate attribution of the data. 
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data_cu_260123zyt_0m
_audit_block_doi                 10.5517/ccdc.csd.cc2qsb2y
_database_code_depnum_ccdc_archive 'CCDC 2525820'
loop_
_audit_author_name
_audit_author_address
'Yuting Zheng Wu Xingxing'
;Guizhou University
China
;
_audit_update_record             
;
2026-01-26 deposited with the CCDC.	2026-06-11 downloaded from the CCDC.
;
_audit_creation_date             2026-01-24
_audit_creation_method           
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_shelx_SHELXL_version_number     2019/2
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C14 H10 Cl N'
_chemical_formula_sum            'C14 H10 Cl N'
_chemical_formula_weight         227.68
_chemical_absolute_configuration ad
_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 0.0181 0.0091 '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 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 '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           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   4.67020(10)
_cell_length_b                   12.4822(2)
_cell_length_c                   37.9133(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     2210.13(7)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9889
_cell_measurement_temperature    298.00
_cell_measurement_theta_max      68.174
_cell_measurement_theta_min      2.330
_shelx_estimated_absorpt_T_max   0.620
_shelx_estimated_absorpt_T_min   0.567
_exptl_absorpt_coefficient_mu    2.779
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.4682
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1182 before and 0.0665 after correction.
The Ratio of minimum to maximum transmission is 0.6217.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.369
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.19
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0383
_diffrn_reflns_av_unetI/netI     0.0361
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       45
_diffrn_reflns_limit_l_min       -45
_diffrn_reflns_number            21161
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.234
_diffrn_reflns_theta_min         2.331
_diffrn_ambient_temperature      298.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.675
_reflns_Friedel_fraction_full    0.989
_reflns_Friedel_fraction_max     0.987
_reflns_number_gt                3903
_reflns_number_total             4021
_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 2019/2 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.109
_refine_diff_density_min         -0.235
_refine_diff_density_rms         0.033
_refine_ls_abs_structure_details 
;
 Flack x determined using 1507 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.055(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4021
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0303
_refine_ls_restrained_S_all      1.062
_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)+(0.0405P)²+0.2858P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0803
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C1(H1A,H1B)
2.b Aromatic/amide H refined with riding coordinates:
 C19(H19), C25(H25), C28(H28), C26(H26), C14(H14), C22(H22), C20(H20),
 C27(H27), C21(H21), C11(H11), C10(H10), C13(H13), C12(H12), C9(H9), C7(H7),
 C8(H8)
;
_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
Cl2 Cl 0.23472(16) 0.66572(5) 0.31843(2) 0.06206(19) Uani 1 1 d . . . . .
Cl1 Cl 0.50091(15) 0.74073(5) 0.41524(2) 0.0615(2) Uani 1 1 d . . . . .
N2 N 0.2778(4) 0.78646(15) 0.34122(5) 0.0453(4) Uani 1 1 d . . . . .
N1 N 0.5767(4) 0.69159(17) 0.45779(6) 0.0514(5) Uani 1 1 d . . . . .
C17 C 0.0893(5) 0.88773(18) 0.28358(6) 0.0408(5) Uani 1 1 d . . . . .
C16 C 0.1704(5) 0.88602(17) 0.32152(6) 0.0405(5) Uani 1 1 d . . . . .
C18 C 0.2379(5) 0.97094(17) 0.26701(5) 0.0413(5) Uani 1 1 d . . . . .
C19 C 0.1958(6) 0.9911(2) 0.23138(6) 0.0520(6) Uani 1 1 d . . . . .
H19 H 0.295475 1.045814 0.220128 0.062 Uiso 1 1 calc R U . . .
C23 C 0.4139(5) 1.02694(18) 0.29325(6) 0.0412(5) Uani 1 1 d . . . . .
C3 C 0.4776(6) 0.52271(19) 0.49187(6) 0.0467(5) Uani 1 1 d . . . . .
C24 C 0.3665(5) 0.97937(18) 0.32617(6) 0.0415(5) Uani 1 1 d . . . . .
C4 C 0.3210(6) 0.43208(19) 0.48256(7) 0.0496(6) Uani 1 1 d . . . . .
C5 C 0.3508(6) 0.4148(2) 0.44442(7) 0.0516(6) Uani 1 1 d . . . . .
C25 C 0.4946(6) 1.01830(19) 0.35619(6) 0.0505(5) Uani 1 1 d . . . . .
H25 H 0.458198 0.987315 0.378039 0.061 Uiso 1 1 calc R U . . .
C28 C 0.5999(6) 1.11281(19) 0.29049(7) 0.0509(6) Uani 1 1 d . . . . .
H28 H 0.634659 1.144778 0.268747 0.061 Uiso 1 1 calc R U . . .
C15 C 0.0018(6) 0.8368(2) 0.35025(6) 0.0502(5) Uani 1 1 d . . . . .
H15A H -0.009732 0.875457 0.372406 0.060 Uiso 1 1 calc R U . . .
H15B H -0.171447 0.798775 0.343779 0.060 Uiso 1 1 calc R U . . .
C26 C 0.6793(6) 1.1048(2) 0.35316(7) 0.0596(7) Uani 1 1 d . . . . .
H26 H 0.767304 1.132314 0.373205 0.071 Uiso 1 1 calc R U . . .
C2 C 0.6083(5) 0.5694(2) 0.45942(6) 0.0467(5) Uani 1 1 d . . . . .
C14 C 0.4917(7) 0.5571(2) 0.52650(7) 0.0618(7) Uani 1 1 d . . . . .
H14 H 0.595580 0.617791 0.532677 0.074 Uiso 1 1 calc R U . . .
C22 C -0.1064(6) 0.8262(2) 0.26495(7) 0.0500(6) Uani 1 1 d . . . . .
H22 H -0.207981 0.771648 0.276013 0.060 Uiso 1 1 calc R U . . .
C20 C 0.0036(7) 0.9286(2) 0.21296(7) 0.0575(6) Uani 1 1 d . . . . .
H20 H -0.024777 0.941089 0.189036 0.069 Uiso 1 1 calc R U . . .
C27 C 0.7336(6) 1.1503(2) 0.32071(7) 0.0599(6) Uani 1 1 d . . . . .
H27 H 0.861940 1.207115 0.319068 0.072 Uiso 1 1 calc R U . . .
C21 C -0.1468(6) 0.8481(2) 0.22941(7) 0.0577(6) Uani 1 1 d . . . . .
H21 H -0.277528 0.807709 0.216525 0.069 Uiso 1 1 calc R U . . .
C1 C 0.8596(6) 0.6406(2) 0.45990(8) 0.0646(8) Uani 1 1 d . . . . .
H1A H 0.963689 0.647188 0.481936 0.077 Uiso 1 1 calc R U . . .
H1B H 0.978737 0.642443 0.438956 0.077 Uiso 1 1 calc R U . . .
C11 C 0.1749(7) 0.3747(2) 0.50830(8) 0.0668(8) Uani 1 1 d . . . . .
H11 H 0.069287 0.314072 0.502445 0.080 Uiso 1 1 calc R U . . .
C6 C 0.5262(6) 0.4951(2) 0.43052(6) 0.0510(6) Uani 1 1 d . . . . .
C10 C 0.2395(7) 0.3348(2) 0.42291(8) 0.0724(8) Uani 1 1 d . . . . .
H10 H 0.120044 0.282226 0.432148 0.087 Uiso 1 1 calc R U . . .
C13 C 0.3468(9) 0.4984(3) 0.55153(8) 0.0763(9) Uani 1 1 d . . . . .
H13 H 0.355769 0.519663 0.575013 0.092 Uiso 1 1 calc R U . . .
C12 C 0.1904(9) 0.4098(3) 0.54285(8) 0.0793(10) Uani 1 1 d . . . . .
H12 H 0.092964 0.372620 0.560390 0.095 Uiso 1 1 calc R U . . .
C9 C 0.3096(9) 0.3350(3) 0.38776(9) 0.0836(10) Uani 1 1 d . . . . .
H9 H 0.235163 0.282348 0.373017 0.100 Uiso 1 1 calc R U . . .
C7 C 0.6012(7) 0.4934(3) 0.39491(7) 0.0688(8) Uani 1 1 d . . . . .
H7 H 0.722630 0.544902 0.385415 0.083 Uiso 1 1 calc R U . . .
C8 C 0.4879(9) 0.4118(3) 0.37408(8) 0.0842(10) Uani 1 1 d . . . . .
H8 H 0.534362 0.409361 0.350246 0.101 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
Cl2 N2 1.749(2) . ?
Cl1 N1 1.762(2) . ?
N2 C16 1.534(3) . ?
N2 C15 1.474(3) . ?
N1 C2 1.533(3) . ?
N1 C1 1.469(4) . ?
C17 C16 1.488(3) . ?
C17 C18 1.398(3) . ?
C17 C22 1.387(3) . ?
C16 C24 1.492(3) . ?
C16 C15 1.478(3) . ?
C18 C19 1.388(3) . ?
C18 C23 1.468(3) . ?
C19 H19 0.9300 . ?
C19 C20 1.379(4) . ?
C23 C24 1.400(3) . ?
C23 C28 1.384(3) . ?
C3 C4 1.393(4) . ?
C3 C2 1.492(3) . ?
C3 C14 1.383(3) . ?
C24 C25 1.374(3) . ?
C4 C5 1.469(4) . ?
C4 C11 1.390(4) . ?
C5 C6 1.397(4) . ?
C5 C10 1.390(4) . ?
C25 H25 0.9300 . ?
C25 C26 1.386(4) . ?
C28 H28 0.9300 . ?
C28 C27 1.386(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C26 H26 0.9300 . ?
C26 C27 1.379(4) . ?
C2 C1 1.472(4) . ?
C2 C6 1.486(4) . ?
C14 H14 0.9300 . ?
C14 C13 1.376(4) . ?
C22 H22 0.9300 . ?
C22 C21 1.388(4) . ?
C20 H20 0.9300 . ?
C20 C21 1.376(4) . ?
C27 H27 0.9300 . ?
C21 H21 0.9300 . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C11 H11 0.9300 . ?
C11 C12 1.383(4) . ?
C6 C7 1.395(4) . ?
C10 H10 0.9300 . ?
C10 C9 1.372(5) . ?
C13 H13 0.9300 . ?
C13 C12 1.366(5) . ?
C12 H12 0.9300 . ?
C9 H9 0.9300 . ?
C9 C8 1.372(5) . ?
C7 H7 0.9300 . ?
C7 C8 1.393(5) . ?
C8 H8 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
C16 N2 Cl2 114.83(14) . . ?
C15 N2 Cl2 112.43(16) . . ?
C15 N2 C16 58.78(14) . . ?
C2 N1 Cl1 113.73(17) . . ?
C1 N1 Cl1 112.42(18) . . ?
C1 N1 C2 58.69(17) . . ?
C18 C17 C16 108.58(19) . . ?
C22 C17 C16 130.7(2) . . ?
C22 C17 C18 120.6(2) . . ?
C17 C16 N2 124.45(18) . . ?
C17 C16 C24 105.03(18) . . ?
C24 C16 N2 111.99(18) . . ?
C15 C16 N2 58.59(15) . . ?
C15 C16 C17 125.7(2) . . ?
C15 C16 C24 124.3(2) . . ?
C17 C18 C23 109.10(18) . . ?
C19 C18 C17 120.1(2) . . ?
C19 C18 C23 130.7(2) . . ?
C18 C19 H19 120.6 . . ?
C20 C19 C18 118.8(2) . . ?
C20 C19 H19 120.6 . . ?
C24 C23 C18 108.3(2) . . ?
C28 C23 C18 132.0(2) . . ?
C28 C23 C24 119.7(2) . . ?
C4 C3 C2 108.8(2) . . ?
C14 C3 C4 121.2(2) . . ?
C14 C3 C2 130.0(2) . . ?
C23 C24 C16 108.83(19) . . ?
C25 C24 C16 129.9(2) . . ?
C25 C24 C23 121.3(2) . . ?
C3 C4 C5 108.6(2) . . ?
C11 C4 C3 119.9(3) . . ?
C11 C4 C5 131.5(3) . . ?
C6 C5 C4 108.8(2) . . ?
C10 C5 C4 130.4(3) . . ?
C10 C5 C6 120.9(3) . . ?
C24 C25 H25 120.7 . . ?
C24 C25 C26 118.5(2) . . ?
C26 C25 H25 120.7 . . ?
C23 C28 H28 120.6 . . ?
C23 C28 C27 118.8(2) . . ?
C27 C28 H28 120.6 . . ?
N2 C15 C16 62.62(15) . . ?
N2 C15 H15A 117.5 . . ?
N2 C15 H15B 117.5 . . ?
C16 C15 H15A 117.5 . . ?
C16 C15 H15B 117.5 . . ?
H15A C15 H15B 114.6 . . ?
C25 C26 H26 119.7 . . ?
C27 C26 C25 120.6(2) . . ?
C27 C26 H26 119.7 . . ?
C3 C2 N1 112.5(2) . . ?
C1 C2 N1 58.45(16) . . ?
C1 C2 C3 123.5(2) . . ?
C1 C2 C6 126.3(2) . . ?
C6 C2 N1 124.5(2) . . ?
C6 C2 C3 105.0(2) . . ?
C3 C14 H14 121.1 . . ?
C13 C14 C3 117.8(3) . . ?
C13 C14 H14 121.1 . . ?
C17 C22 H22 120.8 . . ?
C17 C22 C21 118.4(2) . . ?
C21 C22 H22 120.8 . . ?
C19 C20 H20 119.5 . . ?
C21 C20 C19 121.1(2) . . ?
C21 C20 H20 119.5 . . ?
C28 C27 H27 119.5 . . ?
C26 C27 C28 121.0(3) . . ?
C26 C27 H27 119.5 . . ?
C22 C21 H21 119.5 . . ?
C20 C21 C22 120.9(3) . . ?
C20 C21 H21 119.5 . . ?
N1 C1 C2 62.85(17) . . ?
N1 C1 H1A 117.5 . . ?
N1 C1 H1B 117.5 . . ?
C2 C1 H1A 117.5 . . ?
C2 C1 H1B 117.5 . . ?
H1A C1 H1B 114.6 . . ?
C4 C11 H11 120.8 . . ?
C12 C11 C4 118.4(3) . . ?
C12 C11 H11 120.8 . . ?
C5 C6 C2 108.7(2) . . ?
C7 C6 C5 120.1(3) . . ?
C7 C6 C2 131.2(3) . . ?
C5 C10 H10 120.7 . . ?
C9 C10 C5 118.7(3) . . ?
C9 C10 H10 120.7 . . ?
C14 C13 H13 119.1 . . ?
C12 C13 C14 121.8(3) . . ?
C12 C13 H13 119.1 . . ?
C11 C12 H12 119.6 . . ?
C13 C12 C11 120.9(3) . . ?
C13 C12 H12 119.6 . . ?
C10 C9 H9 119.6 . . ?
C10 C9 C8 120.9(3) . . ?
C8 C9 H9 119.6 . . ?
C6 C7 H7 121.2 . . ?
C8 C7 C6 117.7(3) . . ?
C8 C7 H7 121.2 . . ?
C9 C8 C7 121.8(3) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?

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
Cl2 N2 C16 C17 -12.0(3) . . . . ?
Cl2 N2 C16 C24 -140.01(16) . . . . ?
Cl2 N2 C16 C15 102.20(18) . . . . ?
Cl2 N2 C15 C16 -106.32(16) . . . . ?
Cl1 N1 C2 C3 -140.75(18) . . . . ?
Cl1 N1 C2 C1 102.7(2) . . . . ?
Cl1 N1 C2 C6 -12.1(3) . . . . ?
Cl1 N1 C1 C2 -104.99(19) . . . . ?
N2 C16 C24 C23 133.58(19) . . . . ?
N2 C16 C24 C25 -45.5(3) . . . . ?
N1 C2 C6 C5 -128.9(2) . . . . ?
N1 C2 C6 C7 53.1(4) . . . . ?
C17 C16 C24 C23 -4.1(2) . . . . ?
C17 C16 C24 C25 176.8(2) . . . . ?
C17 C16 C15 N2 112.2(2) . . . . ?
C17 C18 C19 C20 0.7(3) . . . . ?
C17 C18 C23 C24 -1.5(2) . . . . ?
C17 C18 C23 C28 179.3(2) . . . . ?
C17 C22 C21 C20 0.1(4) . . . . ?
C16 C17 C18 C19 -178.8(2) . . . . ?
C16 C17 C18 C23 -1.1(2) . . . . ?
C16 C17 C22 C21 177.6(2) . . . . ?
C16 C24 C25 C26 177.4(2) . . . . ?
C18 C17 C16 N2 -127.7(2) . . . . ?
C18 C17 C16 C24 3.2(2) . . . . ?
C18 C17 C16 C15 158.9(2) . . . . ?
C18 C17 C22 C21 1.1(4) . . . . ?
C18 C19 C20 C21 0.6(4) . . . . ?
C18 C23 C24 C16 3.6(2) . . . . ?
C18 C23 C24 C25 -177.3(2) . . . . ?
C18 C23 C28 C27 178.5(2) . . . . ?
C19 C18 C23 C24 175.8(2) . . . . ?
C19 C18 C23 C28 -3.4(4) . . . . ?
C19 C20 C21 C22 -1.0(4) . . . . ?
C23 C18 C19 C20 -176.4(2) . . . . ?
C23 C24 C25 C26 -1.6(4) . . . . ?
C23 C28 C27 C26 -1.3(4) . . . . ?
C3 C4 C5 C6 0.1(3) . . . . ?
C3 C4 C5 C10 178.9(3) . . . . ?
C3 C4 C11 C12 -0.1(4) . . . . ?
C3 C2 C1 N1 -97.6(3) . . . . ?
C3 C2 C6 C5 2.7(3) . . . . ?
C3 C2 C6 C7 -175.3(3) . . . . ?
C3 C14 C13 C12 -0.8(5) . . . . ?
C24 C16 C15 N2 -96.6(2) . . . . ?
C24 C23 C28 C27 -0.5(3) . . . . ?
C24 C25 C26 C27 -0.2(4) . . . . ?
C4 C3 C2 N1 135.5(2) . . . . ?
C4 C3 C2 C1 -158.4(2) . . . . ?
C4 C3 C2 C6 -2.7(3) . . . . ?
C4 C3 C14 C13 0.3(4) . . . . ?
C4 C5 C6 C2 -1.8(3) . . . . ?
C4 C5 C6 C7 176.5(2) . . . . ?
C4 C5 C10 C9 -177.6(3) . . . . ?
C4 C11 C12 C13 -0.4(5) . . . . ?
C5 C4 C11 C12 178.8(3) . . . . ?
C5 C6 C7 C8 2.1(4) . . . . ?
C5 C10 C9 C8 0.6(5) . . . . ?
C25 C26 C27 C28 1.7(4) . . . . ?
C28 C23 C24 C16 -177.2(2) . . . . ?
C28 C23 C24 C25 2.0(3) . . . . ?
C15 N2 C16 C17 -114.2(3) . . . . ?
C15 N2 C16 C24 117.8(2) . . . . ?
C15 C16 C24 C23 -160.3(2) . . . . ?
C15 C16 C24 C25 20.6(4) . . . . ?
C2 C3 C4 C5 1.7(3) . . . . ?
C2 C3 C4 C11 -179.2(2) . . . . ?
C2 C3 C14 C13 179.5(3) . . . . ?
C2 C6 C7 C8 179.9(3) . . . . ?
C14 C3 C4 C5 -178.9(3) . . . . ?
C14 C3 C4 C11 0.1(4) . . . . ?
C14 C3 C2 N1 -43.8(4) . . . . ?
C14 C3 C2 C1 22.3(4) . . . . ?
C14 C3 C2 C6 178.0(3) . . . . ?
C14 C13 C12 C11 0.9(6) . . . . ?
C22 C17 C16 N2 55.5(3) . . . . ?
C22 C17 C16 C24 -173.6(2) . . . . ?
C22 C17 C16 C15 -17.9(4) . . . . ?
C22 C17 C18 C19 -1.6(3) . . . . ?
C22 C17 C18 C23 176.1(2) . . . . ?
C1 N1 C2 C3 116.5(3) . . . . ?
C1 N1 C2 C6 -114.9(3) . . . . ?
C1 C2 C6 C5 157.5(2) . . . . ?
C1 C2 C6 C7 -20.5(4) . . . . ?
C11 C4 C5 C6 -178.9(3) . . . . ?
C11 C4 C5 C10 0.0(5) . . . . ?
C6 C5 C10 C9 1.2(4) . . . . ?
C6 C2 C1 N1 112.0(3) . . . . ?
C6 C7 C8 C9 -0.3(5) . . . . ?
C10 C5 C6 C2 179.2(2) . . . . ?
C10 C5 C6 C7 -2.5(4) . . . . ?
C10 C9 C8 C7 -1.1(6) . . . . ?


_olex2_submission_special_instructions 'No special instructions were received'
