# Supplementary Information (SI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 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 
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data_cu_20250810_wzh_bibd_0m
_database_code_depnum_ccdc_archive 'CCDC 2497011'
loop_
_audit_author_name
_audit_author_address
'Andy Chen'
;Capital Medical University
China
;
_audit_update_record             
;
2025-10-21 deposited with the CCDC.	2026-02-17 downloaded from the CCDC.
;
_audit_creation_date             2025-08-10
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C13 H10 F N4'
_chemical_formula_sum            'C13 H10 F N4'
_chemical_formula_weight         241.25
_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'
F F 0.0727 0.0534 '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      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                   8.3490(2)
_cell_length_b                   9.2715(2)
_cell_length_c                   15.5660(3)
_cell_angle_alpha                95.7270(10)
_cell_angle_beta                 95.7710(10)
_cell_angle_gamma                90.4700(10)
_cell_volume                     1192.64(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5336
_cell_measurement_temperature    295.00
_cell_measurement_theta_max      68.323
_cell_measurement_theta_min      2.868
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.793
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6648
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0785 before and 0.0440 after correction.
The Ratio of minimum to maximum transmission is 0.8828.
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    1.344
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             500
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0467
_diffrn_reflns_av_unetI/netI     0.0452
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.967
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            11963
_diffrn_reflns_point_group_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.967
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.323
_diffrn_reflns_theta_min         2.868
_diffrn_ambient_temperature      295.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  Bruker
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3356
_reflns_number_total             4220
_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 V8.41 (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.41 (?, 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 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         0.469
_refine_diff_density_min         -0.380
_refine_diff_density_rms         0.050
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.075
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4220
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0860
_refine_ls_R_factor_gt           0.0601
_refine_ls_restrained_S_all      1.075
_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)+(0.1113P)²+0.2728P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1759
_refine_ls_wR_factor_ref         0.1907
_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:
 C5(H5A,H5B), C18(H18A,H18B)
2.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C4(H4), C6(H6), C8(H8), C9(H9), C11(H11), C12(H12), C14(H14),
 C15(H15), C17(H17), C19(H19), C21(H21), C22(H22), C24(H24), C25(H25)
;
_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
F1 F 0.0816(2) -0.1801(2) 0.41052(13) 0.0952(6) Uani 1 1 d . . . . .
N1 N 0.1413(4) 0.3057(2) 0.44739(14) 0.0808(8) Uani 1 1 d . . . . .
N2 N 0.0259(4) 0.4048(2) 0.32377(14) 0.0836(8) Uani 1 1 d . . . . .
N3 N 0.0225(2) 0.00874(18) 0.27795(11) 0.0492(4) Uani 1 1 d . . . . .
N4 N 0.3051(3) -0.1278(3) -0.11372(15) 0.0809(7) Uani 1 1 d . . . . .
C1 C 0.0930(3) 0.4141(2) 0.40368(15) 0.0596(6) Uani 1 1 d . . . . .
H1 H 0.108190 0.506737 0.432481 0.072 Uiso 1 1 calc R U . . .
C2 C 0.1197(4) 0.1735(3) 0.40528(16) 0.0742(8) Uani 1 1 d . . . . .
H2 H 0.153685 0.094136 0.433998 0.089 Uiso 1 1 calc R U . . .
C3 C 0.0505(3) 0.1496(2) 0.32238(13) 0.0454(5) Uani 1 1 d . . . . .
C4 C 0.0067(4) 0.2716(3) 0.28351(16) 0.0760(9) Uani 1 1 d . . . . .
H4 H -0.038580 0.260582 0.226115 0.091 Uiso 1 1 calc R U . . .
C5 C -0.1011(3) -0.0812(2) 0.30810(16) 0.0567(5) Uani 1 1 d . . . . .
H5A H -0.183247 -0.107410 0.260351 0.068 Uiso 1 1 calc R U . . .
H5B H -0.151749 -0.024670 0.353424 0.068 Uiso 1 1 calc R U . . .
C6 C -0.0369(3) -0.2158(3) 0.3422(2) 0.0717(7) Uani 1 1 d . . . . .
H6 H -0.070958 -0.309627 0.321121 0.086 Uiso 1 1 calc R U . . .
C7 C 0.0818(2) -0.0257(2) 0.19852(13) 0.0422(4) Uani 1 1 d . . . . .
C8 C 0.2146(3) 0.0506(2) 0.17691(14) 0.0515(5) Uani 1 1 d . . . . .
H8 H 0.264739 0.121658 0.217284 0.062 Uiso 1 1 calc R U . . .
C9 C 0.2729(3) 0.0233(2) 0.09764(15) 0.0537(5) Uani 1 1 d . . . . .
H9 H 0.360805 0.076364 0.084699 0.064 Uiso 1 1 calc R U . . .
C10 C 0.2005(3) -0.0839(2) 0.03650(13) 0.0473(5) Uani 1 1 d . . . . .
C11 C 0.0738(3) -0.1645(3) 0.05885(16) 0.0590(6) Uani 1 1 d . . . . .
H11 H 0.026836 -0.238521 0.019420 0.071 Uiso 1 1 calc R U . . .
C12 C 0.0162(3) -0.1370(2) 0.13794(15) 0.0566(6) Uani 1 1 d . . . . .
H12 H -0.068208 -0.193698 0.151626 0.068 Uiso 1 1 calc R U . . .
C13 C 0.2573(3) -0.1091(3) -0.04725(15) 0.0581(6) Uani 1 1 d . . . . .
F2 F 0.4289(2) 0.14734(18) 0.59727(11) 0.0812(5) Uani 1 1 d . . . . .
N5 N 0.4560(4) 0.7835(2) 0.66854(14) 0.0872(9) Uani 1 1 d . . . . .
N6 N 0.3601(3) 0.6288(2) 0.54374(13) 0.0677(6) Uani 1 1 d . . . . .
N7 N 0.4757(2) 0.40551(18) 0.72118(11) 0.0481(4) Uani 1 1 d . . . . .
N8 N 0.1950(3) 0.4135(3) 1.11489(15) 0.0802(7) Uani 1 1 d . . . . .
C14 C 0.3984(4) 0.7565(3) 0.58645(16) 0.0694(7) Uani 1 1 d . . . . .
H14 H 0.383067 0.836443 0.555132 0.083 Uiso 1 1 calc R U . . .
C15 C 0.4784(4) 0.6678(3) 0.71213(16) 0.0733(8) Uani 1 1 d . . . . .
H15 H 0.518508 0.681495 0.770352 0.088 Uiso 1 1 calc R U . . .
C16 C 0.4449(3) 0.5287(2) 0.67472(13) 0.0454(5) Uani 1 1 d . . . . .
C17 C 0.3835(3) 0.5148(2) 0.58921(14) 0.0565(6) Uani 1 1 d . . . . .
H17 H 0.357352 0.422623 0.561873 0.068 Uiso 1 1 calc R U . . .
C18 C 0.6009(3) 0.3076(2) 0.69269(15) 0.0541(5) Uani 1 1 d . . . . .
H18A H 0.688321 0.309309 0.738845 0.065 Uiso 1 1 calc R U . . .
H18B H 0.643520 0.343184 0.642878 0.065 Uiso 1 1 calc R U . . .
C19 C 0.5433(3) 0.1543(3) 0.66877(17) 0.0621(6) Uani 1 1 d . . . . .
H19 H 0.578856 0.075454 0.697521 0.075 Uiso 1 1 calc R U . . .
C20 C 0.4173(2) 0.4006(2) 0.80143(13) 0.0421(4) Uani 1 1 d . . . . .
C21 C 0.2792(3) 0.4776(2) 0.82057(14) 0.0493(5) Uani 1 1 d . . . . .
H21 H 0.225282 0.528642 0.778357 0.059 Uiso 1 1 calc R U . . .
C22 C 0.2222(3) 0.4791(2) 0.89995(14) 0.0517(5) Uani 1 1 d . . . . .
H22 H 0.131443 0.532220 0.911435 0.062 Uiso 1 1 calc R U . . .
C23 C 0.2995(3) 0.4013(2) 0.96386(13) 0.0476(5) Uani 1 1 d . . . . .
C24 C 0.4313(3) 0.3197(3) 0.94428(15) 0.0560(6) Uani 1 1 d . . . . .
H24 H 0.481846 0.265318 0.985861 0.067 Uiso 1 1 calc R U . . .
C25 C 0.4891(3) 0.3175(3) 0.86471(15) 0.0543(5) Uani 1 1 d . . . . .
H25 H 0.576726 0.260295 0.852665 0.065 Uiso 1 1 calc R U . . .
C26 C 0.2425(3) 0.4077(3) 1.04816(15) 0.0566(6) 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
F1 C6 1.390(4) . ?
N1 C1 1.313(3) . ?
N1 C2 1.333(3) . ?
N2 C1 1.306(3) . ?
N2 C4 1.329(3) . ?
N3 C3 1.422(3) . ?
N3 C5 1.463(3) . ?
N3 C7 1.387(3) . ?
N4 C13 1.144(3) . ?
C1 H1 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.356(3) . ?
C3 C4 1.370(3) . ?
C4 H4 0.9300 . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C5 C6 1.488(4) . ?
C6 H6 0.9300 . ?
C7 C8 1.397(3) . ?
C7 C12 1.396(3) . ?
C8 H8 0.9300 . ?
C8 C9 1.373(3) . ?
C9 H9 0.9300 . ?
C9 C10 1.394(3) . ?
C10 C11 1.383(3) . ?
C10 C13 1.430(3) . ?
C11 H11 0.9300 . ?
C11 C12 1.367(3) . ?
C12 H12 0.9300 . ?
F2 C19 1.388(3) . ?
N5 C14 1.318(3) . ?
N5 C15 1.330(3) . ?
N6 C14 1.319(3) . ?
N6 C17 1.335(3) . ?
N7 C16 1.423(2) . ?
N7 C18 1.464(3) . ?
N7 C20 1.391(3) . ?
N8 C26 1.145(3) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.375(3) . ?
C16 C17 1.370(3) . ?
C17 H17 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 C19 1.496(3) . ?
C19 H19 0.9300 . ?
C20 C21 1.403(3) . ?
C20 C25 1.401(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.367(3) . ?
C22 H22 0.9300 . ?
C22 C23 1.395(3) . ?
C23 C24 1.383(3) . ?
C23 C26 1.436(3) . ?
C24 H24 0.9300 . ?
C24 C25 1.372(3) . ?
C25 H25 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
C1 N1 C2 116.2(2) . . ?
C1 N2 C4 115.8(2) . . ?
C3 N3 C5 116.73(17) . . ?
C7 N3 C3 119.91(16) . . ?
C7 N3 C5 121.64(17) . . ?
N1 C1 H1 116.7 . . ?
N2 C1 N1 126.5(2) . . ?
N2 C1 H1 116.7 . . ?
N1 C2 H2 118.6 . . ?
N1 C2 C3 122.9(2) . . ?
C3 C2 H2 118.6 . . ?
C2 C3 N3 123.20(19) . . ?
C2 C3 C4 115.4(2) . . ?
C4 C3 N3 121.42(19) . . ?
N2 C4 C3 123.2(2) . . ?
N2 C4 H4 118.4 . . ?
C3 C4 H4 118.4 . . ?
N3 C5 H5A 108.9 . . ?
N3 C5 H5B 108.9 . . ?
N3 C5 C6 113.4(2) . . ?
H5A C5 H5B 107.7 . . ?
C6 C5 H5A 108.9 . . ?
C6 C5 H5B 108.9 . . ?
F1 C6 C5 109.6(2) . . ?
F1 C6 H6 125.2 . . ?
C5 C6 H6 125.2 . . ?
N3 C7 C8 120.07(17) . . ?
N3 C7 C12 122.80(19) . . ?
C12 C7 C8 117.11(19) . . ?
C7 C8 H8 119.1 . . ?
C9 C8 C7 121.73(19) . . ?
C9 C8 H8 119.1 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 120.1(2) . . ?
C10 C9 H9 120.0 . . ?
C9 C10 C13 120.2(2) . . ?
C11 C10 C9 118.6(2) . . ?
C11 C10 C13 121.2(2) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 C10 121.11(19) . . ?
C12 C11 H11 119.4 . . ?
C7 C12 H12 119.4 . . ?
C11 C12 C7 121.3(2) . . ?
C11 C12 H12 119.4 . . ?
N4 C13 C10 178.8(3) . . ?
C14 N5 C15 115.5(2) . . ?
C14 N6 C17 115.8(2) . . ?
C16 N7 C18 117.05(17) . . ?
C20 N7 C16 119.48(16) . . ?
C20 N7 C18 121.64(16) . . ?
N5 C14 N6 127.3(2) . . ?
N5 C14 H14 116.3 . . ?
N6 C14 H14 116.3 . . ?
N5 C15 H15 118.6 . . ?
N5 C15 C16 122.8(2) . . ?
C16 C15 H15 118.6 . . ?
C15 C16 N7 122.15(19) . . ?
C17 C16 N7 121.62(18) . . ?
C17 C16 C15 116.22(19) . . ?
N6 C17 C16 122.4(2) . . ?
N6 C17 H17 118.8 . . ?
C16 C17 H17 118.8 . . ?
N7 C18 H18A 108.8 . . ?
N7 C18 H18B 108.8 . . ?
N7 C18 C19 113.76(19) . . ?
H18A C18 H18B 107.7 . . ?
C19 C18 H18A 108.8 . . ?
C19 C18 H18B 108.8 . . ?
F2 C19 C18 109.84(18) . . ?
F2 C19 H19 125.1 . . ?
C18 C19 H19 125.1 . . ?
N7 C20 C21 120.02(17) . . ?
N7 C20 C25 122.39(19) . . ?
C25 C20 C21 117.56(19) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 C20 121.39(18) . . ?
C22 C21 H21 119.3 . . ?
C21 C22 H22 119.8 . . ?
C21 C22 C23 120.4(2) . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C26 120.1(2) . . ?
C24 C23 C22 118.7(2) . . ?
C24 C23 C26 121.27(19) . . ?
C23 C24 H24 119.4 . . ?
C25 C24 C23 121.29(18) . . ?
C25 C24 H24 119.4 . . ?
C20 C25 H25 119.7 . . ?
C24 C25 C20 120.6(2) . . ?
C24 C25 H25 119.7 . . ?
N8 C26 C23 179.0(3) . . ?

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
N1 C2 C3 N3 -178.0(3) . . . . ?
N1 C2 C3 C4 1.4(5) . . . . ?
N3 C3 C4 N2 177.7(3) . . . . ?
N3 C5 C6 F1 58.3(3) . . . . ?
N3 C7 C8 C9 -177.5(2) . . . . ?
N3 C7 C12 C11 177.4(2) . . . . ?
C1 N1 C2 C3 -0.8(5) . . . . ?
C1 N2 C4 C3 1.3(5) . . . . ?
C2 N1 C1 N2 0.4(5) . . . . ?
C2 C3 C4 N2 -1.7(5) . . . . ?
C3 N3 C5 C6 -117.4(2) . . . . ?
C3 N3 C7 C8 24.2(3) . . . . ?
C3 N3 C7 C12 -157.0(2) . . . . ?
C4 N2 C1 N1 -0.6(5) . . . . ?
C5 N3 C3 C2 69.4(3) . . . . ?
C5 N3 C3 C4 -110.0(3) . . . . ?
C5 N3 C7 C8 -171.24(19) . . . . ?
C5 N3 C7 C12 7.6(3) . . . . ?
C7 N3 C3 C2 -125.4(3) . . . . ?
C7 N3 C3 C4 55.3(3) . . . . ?
C7 N3 C5 C6 77.6(3) . . . . ?
C7 C8 C9 C10 -0.7(3) . . . . ?
C8 C7 C12 C11 -3.7(3) . . . . ?
C8 C9 C10 C11 -2.3(3) . . . . ?
C8 C9 C10 C13 177.8(2) . . . . ?
C9 C10 C11 C12 2.2(3) . . . . ?
C10 C11 C12 C7 0.9(4) . . . . ?
C12 C7 C8 C9 3.6(3) . . . . ?
C13 C10 C11 C12 -177.8(2) . . . . ?
N5 C15 C16 N7 177.3(3) . . . . ?
N5 C15 C16 C17 -1.1(5) . . . . ?
N7 C16 C17 N6 -177.2(2) . . . . ?
N7 C18 C19 F2 64.3(3) . . . . ?
N7 C20 C21 C22 -177.63(19) . . . . ?
N7 C20 C25 C24 177.6(2) . . . . ?
C14 N5 C15 C16 0.3(5) . . . . ?
C14 N6 C17 C16 -0.5(4) . . . . ?
C15 N5 C14 N6 0.5(6) . . . . ?
C15 C16 C17 N6 1.2(4) . . . . ?
C16 N7 C18 C19 -122.9(2) . . . . ?
C16 N7 C20 C21 26.9(3) . . . . ?
C16 N7 C20 C25 -154.8(2) . . . . ?
C17 N6 C14 N5 -0.4(5) . . . . ?
C18 N7 C16 C15 -113.1(3) . . . . ?
C18 N7 C16 C17 65.2(3) . . . . ?
C18 N7 C20 C21 -169.0(2) . . . . ?
C18 N7 C20 C25 9.3(3) . . . . ?
C20 N7 C16 C15 51.7(3) . . . . ?
C20 N7 C16 C17 -130.0(2) . . . . ?
C20 N7 C18 C19 72.6(3) . . . . ?
C20 C21 C22 C23 -1.1(3) . . . . ?
C21 C20 C25 C24 -4.1(3) . . . . ?
C21 C22 C23 C24 -1.9(3) . . . . ?
C21 C22 C23 C26 177.7(2) . . . . ?
C22 C23 C24 C25 1.8(3) . . . . ?
C23 C24 C25 C20 1.2(4) . . . . ?
C25 C20 C21 C22 4.0(3) . . . . ?
C26 C23 C24 C25 -177.7(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
