# 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_vit-1
_database_code_depnum_ccdc_archive 'CCDC 2130702'
loop_
_audit_author_name
_audit_author_address
'Ranjit Thakuria'
;Gauhati University
India
;
_audit_update_record             
;
2021-12-23 deposited with the CCDC.	2024-03-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C12 H10 N4 S'
_chemical_formula_sum            'C12 H10 N4 S'
_chemical_formula_weight         242.30

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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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, -z'

_cell_length_a                   9.7029(7)
_cell_length_b                   10.6515(7)
_cell_length_c                   11.9141(8)
_cell_angle_alpha                77.212(2)
_cell_angle_beta                 73.407(2)
_cell_angle_gamma                74.174(2)
_cell_volume                     1121.49(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    9888
_cell_measurement_theta_min      2.49
_cell_measurement_theta_max      26.41

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.435
_exptl_crystal_F_000             504
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.150
_exptl_absorpt_coefficient_mu    0.269
_shelx_estimated_absorpt_T_min   0.946
_shelx_estimated_absorpt_T_max   0.961
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.944
_exptl_absorpt_correction_T_max  0.959
_exptl_absorpt_process_details   'Bruker AXS SADABS program'
_exptl_absorpt_special_details   'Sheldrick,G.M.,2015,University of gottingen'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            17727
_diffrn_reflns_av_unetI/netI     0.0162
_diffrn_reflns_av_R_equivalents  0.0201
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         2.012
_diffrn_reflns_theta_max         26.437
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4598
_reflns_number_gt                4052
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0657P)²+0.2215P] 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         4598
_refine_ls_number_parameters     307
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0377
_refine_ls_wR_factor_ref         0.1142
_refine_ls_wR_factor_gt          0.1087
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_restrained_S_all      1.122
_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
S1 S 0.81801(5) 0.13405(4) 0.73670(4) 0.04844(14) Uani 1 1 d . . . . .
S2 S 0.68538(5) 0.66542(4) 0.77645(4) 0.04925(14) Uani 1 1 d . . . . .
N1 N 1.07944(14) -0.04469(13) 0.65543(12) 0.0437(3) Uani 1 1 d . . . . .
N2 N 1.36149(18) -0.11364(16) 0.51074(14) 0.0633(5) Uani 1 1 d . . . . .
N3 N 1.04897(13) 0.16473(12) 0.53250(11) 0.0389(3) Uani 1 1 d . . . . .
N4 N 0.82121(13) 0.31836(13) 0.58773(11) 0.0395(3) Uani 1 1 d . . . . .
N5 N 0.41962(14) 0.57993(13) 0.85778(12) 0.0440(3) Uani 1 1 d . . . . .
N6 N 0.13176(16) 0.59322(18) 0.99572(14) 0.0569(4) Uani 1 1 d . . . . .
N7 N 0.45077(13) 0.71726(13) 0.97686(11) 0.0387(3) Uani 1 1 d . . . . .
N8 N 0.68183(13) 0.77830(13) 0.92495(11) 0.0384(3) Uani 1 1 d . . . . .
C1 C 1.13234(16) 0.03965(15) 0.56325(13) 0.0367(3) Uani 1 1 d . . . . .
C2 C 1.16812(19) -0.16373(17) 0.67319(17) 0.0497(4) Uani 1 1 d . . . . .
H2 H 1.134924 -0.225426 0.736746 0.060 Uiso 1 1 calc R U . . .
C3 C 1.3055(2) -0.19833(17) 0.60175(16) 0.0537(4) Uani 1 1 d . . . . .
H3 H 1.361757 -0.283352 0.616853 0.064 Uiso 1 1 calc R U . . .
C4 C 1.2750(2) 0.00440(19) 0.49291(15) 0.0543(4) Uani 1 1 d . . . . .
H4 H 1.310347 0.066707 0.431017 0.065 Uiso 1 1 calc R U . . .
C5 C 0.92278(15) 0.20222(14) 0.60032(12) 0.0347(3) Uani 1 1 d . . . . .
C6 C 0.70403(18) 0.29664(17) 0.69329(14) 0.0480(4) Uani 1 1 d . . . . .
H6A H 0.613688 0.292334 0.676111 0.058 Uiso 1 1 calc R U . . .
H6B H 0.684034 0.357968 0.748258 0.058 Uiso 1 1 calc R U . . .
C7 C 0.82080(15) 0.42991(14) 0.49964(12) 0.0347(3) Uani 1 1 d . . . . .
C8 C 0.94233(17) 0.43993(15) 0.40468(13) 0.0406(3) Uani 1 1 d . . . . .
H8 H 1.026016 0.371320 0.397914 0.049 Uiso 1 1 calc R U . . .
C9 C 0.93795(19) 0.55214(17) 0.32069(14) 0.0474(4) Uani 1 1 d . . . . .
H9 H 1.019020 0.558682 0.257006 0.057 Uiso 1 1 calc R U . . .
C10 C 0.8149(2) 0.65482(17) 0.32990(16) 0.0535(4) Uani 1 1 d . . . . .
H10 H 0.812771 0.730135 0.272737 0.064 Uiso 1 1 calc R U . . .
C11 C 0.6951(2) 0.64501(17) 0.42439(17) 0.0551(4) Uani 1 1 d . . . . .
H11 H 0.612288 0.714463 0.431160 0.066 Uiso 1 1 calc R U . . .
C12 C 0.69671(18) 0.53328(16) 0.50911(15) 0.0465(4) Uani 1 1 d . . . . .
H12 H 0.615026 0.527193 0.572316 0.056 Uiso 1 1 calc R U . . .
C13 C 0.36586(16) 0.65052(14) 0.94630(12) 0.0361(3) Uani 1 1 d . . . . .
C14 C 0.32973(19) 0.51388(17) 0.84133(16) 0.0486(4) Uani 1 1 d . . . . .
H14 H 0.364033 0.463066 0.780593 0.058 Uiso 1 1 calc R U . . .
C15 C 0.18959(19) 0.51781(17) 0.90994(15) 0.0482(4) Uani 1 1 d . . . . .
H15 H 0.133157 0.467036 0.896785 0.058 Uiso 1 1 calc R U . . .
C16 C 0.22025(18) 0.65890(19) 1.01256(15) 0.0507(4) Uani 1 1 d . . . . .
H16 H 0.183919 0.712859 1.070940 0.061 Uiso 1 1 calc R U . . .
C17 C 0.57901(15) 0.72166(14) 0.91096(12) 0.0343(3) Uani 1 1 d . . . . .
C18 C 0.80025(17) 0.74774(18) 0.82097(15) 0.0466(4) Uani 1 1 d . . . . .
H18A H 0.889071 0.688735 0.839830 0.056 Uiso 1 1 calc R U . . .
H18B H 0.822974 0.825261 0.765573 0.056 Uiso 1 1 calc R U . . .
C19 C 0.68162(15) 0.84704(14) 1.01288(12) 0.0340(3) Uani 1 1 d . . . . .
C20 C 0.80742(18) 0.88811(17) 1.00808(15) 0.0458(4) Uani 1 1 d . . . . .
H20 H 0.891806 0.868927 0.947873 0.055 Uiso 1 1 calc R U . . .
C21 C 0.8063(2) 0.95778(19) 1.09353(17) 0.0549(4) Uani 1 1 d . . . . .
H21 H 0.890540 0.985578 1.090156 0.066 Uiso 1 1 calc R U . . .
C22 C 0.6830(2) 0.98658(18) 1.18327(16) 0.0522(4) Uani 1 1 d . . . . .
H22 H 0.683263 1.033915 1.240049 0.063 Uiso 1 1 calc R U . . .
C23 C 0.5587(2) 0.94464(18) 1.18833(15) 0.0492(4) Uani 1 1 d . . . . .
H23 H 0.475256 0.963057 1.249513 0.059 Uiso 1 1 calc R U . . .
C24 C 0.55643(17) 0.87565(16) 1.10380(13) 0.0427(3) Uani 1 1 d . . . . .
H24 H 0.471702 0.848437 1.107595 0.051 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
S1 C5 1.7714(15) . ?
S1 C6 1.8372(17) . ?
S2 C17 1.7706(14) . ?
S2 C18 1.8355(17) . ?
N1 C1 1.330(2) . ?
N1 C2 1.335(2) . ?
N2 C4 1.318(2) . ?
N2 C3 1.335(3) . ?
N3 C5 1.2739(18) . ?
N3 C1 1.3888(19) . ?
N4 C5 1.3643(19) . ?
N4 C7 1.400(2) . ?
N4 C6 1.4581(19) . ?
N5 C13 1.3314(19) . ?
N5 C14 1.337(2) . ?
N6 C16 1.325(2) . ?
N6 C15 1.340(2) . ?
N7 C17 1.2746(18) . ?
N7 C13 1.3864(19) . ?
N8 C17 1.3619(18) . ?
N8 C19 1.4040(19) . ?
N8 C18 1.4569(18) . ?
C1 C4 1.397(2) . ?
C2 C3 1.364(3) . ?
C2 H2 0.9300 . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 C12 1.389(2) . ?
C7 C8 1.391(2) . ?
C8 C9 1.378(2) . ?
C8 H8 0.9300 . ?
C9 C10 1.378(2) . ?
C9 H9 0.9300 . ?
C10 C11 1.377(3) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(3) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C16 1.397(2) . ?
C14 C15 1.367(2) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.387(2) . ?
C19 C24 1.391(2) . ?
C20 C21 1.382(2) . ?
C20 H20 0.9300 . ?
C21 C22 1.373(3) . ?
C21 H21 0.9300 . ?
C22 C23 1.377(3) . ?
C22 H22 0.9300 . ?
C23 C24 1.380(2) . ?
C23 H23 0.9300 . ?
C24 H24 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
C5 S1 C6 74.09(7) . . ?
C17 S2 C18 74.01(7) . . ?
C1 N1 C2 116.23(14) . . ?
C4 N2 C3 115.98(15) . . ?
C5 N3 C1 118.38(13) . . ?
C5 N4 C7 132.03(12) . . ?
C5 N4 C6 100.75(12) . . ?
C7 N4 C6 127.21(12) . . ?
C13 N5 C14 116.34(14) . . ?
C16 N6 C15 116.02(14) . . ?
C17 N7 C13 118.72(13) . . ?
C17 N8 C19 131.96(12) . . ?
C17 N8 C18 100.70(12) . . ?
C19 N8 C18 127.34(12) . . ?
N1 C1 N3 121.87(13) . . ?
N1 C1 C4 120.66(14) . . ?
N3 C1 C4 117.47(14) . . ?
N1 C2 C3 122.55(17) . . ?
N1 C2 H2 118.7 . . ?
C3 C2 H2 118.7 . . ?
N2 C3 C2 121.88(16) . . ?
N2 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
N2 C4 C1 122.65(17) . . ?
N2 C4 H4 118.7 . . ?
C1 C4 H4 118.7 . . ?
N3 C5 N4 128.93(14) . . ?
N3 C5 S1 135.54(12) . . ?
N4 C5 S1 95.53(9) . . ?
N4 C6 S1 89.61(9) . . ?
N4 C6 H6A 113.7 . . ?
S1 C6 H6A 113.7 . . ?
N4 C6 H6B 113.7 . . ?
S1 C6 H6B 113.7 . . ?
H6A C6 H6B 111.0 . . ?
C12 C7 C8 119.69(14) . . ?
C12 C7 N4 118.83(13) . . ?
C8 C7 N4 121.47(13) . . ?
C9 C8 C7 119.59(14) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C8 C9 C10 120.81(16) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C11 C10 C9 119.48(16) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 120.71(15) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C11 C12 C7 119.72(16) . . ?
C11 C12 H12 120.1 . . ?
C7 C12 H12 120.1 . . ?
N5 C13 N7 121.96(13) . . ?
N5 C13 C16 120.47(14) . . ?
N7 C13 C16 117.58(14) . . ?
N5 C14 C15 122.83(16) . . ?
N5 C14 H14 118.6 . . ?
C15 C14 H14 118.6 . . ?
N6 C15 C14 121.43(15) . . ?
N6 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
N6 C16 C13 122.77(16) . . ?
N6 C16 H16 118.6 . . ?
C13 C16 H16 118.6 . . ?
N7 C17 N8 128.84(13) . . ?
N7 C17 S2 135.55(12) . . ?
N8 C17 S2 95.61(9) . . ?
N8 C18 S2 89.67(9) . . ?
N8 C18 H18A 113.7 . . ?
S2 C18 H18A 113.7 . . ?
N8 C18 H18B 113.7 . . ?
S2 C18 H18B 113.7 . . ?
H18A C18 H18B 110.9 . . ?
C20 C19 C24 119.71(14) . . ?
C20 C19 N8 119.49(13) . . ?
C24 C19 N8 120.80(13) . . ?
C21 C20 C19 119.47(15) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C22 C21 C20 121.06(16) . . ?
C22 C21 H21 119.5 . . ?
C20 C21 H21 119.5 . . ?
C21 C22 C23 119.31(16) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 H22 120.3 . . ?
C22 C23 C24 120.84(16) . . ?
C22 C23 H23 119.6 . . ?
C24 C23 H23 119.6 . . ?
C23 C24 C19 119.61(15) . . ?
C23 C24 H24 120.2 . . ?
C19 C24 H24 120.2 . . ?

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
C2 N1 C1 N3 177.48(14) . . . . ?
C2 N1 C1 C4 -2.1(2) . . . . ?
C5 N3 C1 N1 5.4(2) . . . . ?
C5 N3 C1 C4 -175.06(15) . . . . ?
C1 N1 C2 C3 0.1(2) . . . . ?
C4 N2 C3 C2 -1.2(3) . . . . ?
N1 C2 C3 N2 1.7(3) . . . . ?
C3 N2 C4 C1 -0.8(3) . . . . ?
N1 C1 C4 N2 2.6(3) . . . . ?
N3 C1 C4 N2 -176.99(17) . . . . ?
C1 N3 C5 N4 -178.81(14) . . . . ?
C1 N3 C5 S1 2.2(2) . . . . ?
C7 N4 C5 N3 0.6(3) . . . . ?
C6 N4 C5 N3 179.42(16) . . . . ?
C7 N4 C5 S1 179.89(14) . . . . ?
C6 N4 C5 S1 -1.30(12) . . . . ?
C6 S1 C5 N3 -179.75(18) . . . . ?
C6 S1 C5 N4 1.05(10) . . . . ?
C5 N4 C6 S1 1.25(12) . . . . ?
C7 N4 C6 S1 -179.86(13) . . . . ?
C5 S1 C6 N4 -0.98(9) . . . . ?
C5 N4 C7 C12 177.62(15) . . . . ?
C6 N4 C7 C12 -0.9(2) . . . . ?
C5 N4 C7 C8 -3.5(2) . . . . ?
C6 N4 C7 C8 177.99(15) . . . . ?
C12 C7 C8 C9 -0.3(2) . . . . ?
N4 C7 C8 C9 -179.22(14) . . . . ?
C7 C8 C9 C10 0.3(3) . . . . ?
C8 C9 C10 C11 0.1(3) . . . . ?
C9 C10 C11 C12 -0.5(3) . . . . ?
C10 C11 C12 C7 0.5(3) . . . . ?
C8 C7 C12 C11 -0.1(2) . . . . ?
N4 C7 C12 C11 178.85(15) . . . . ?
C14 N5 C13 N7 176.22(14) . . . . ?
C14 N5 C13 C16 -3.4(2) . . . . ?
C17 N7 C13 N5 7.0(2) . . . . ?
C17 N7 C13 C16 -173.38(15) . . . . ?
C13 N5 C14 C15 0.4(3) . . . . ?
C16 N6 C15 C14 -2.5(3) . . . . ?
N5 C14 C15 N6 2.7(3) . . . . ?
C15 N6 C16 C13 -0.5(3) . . . . ?
N5 C13 C16 N6 3.6(3) . . . . ?
N7 C13 C16 N6 -176.05(16) . . . . ?
C13 N7 C17 N8 -178.37(14) . . . . ?
C13 N7 C17 S2 2.8(2) . . . . ?
C19 N8 C17 N7 0.4(3) . . . . ?
C18 N8 C17 N7 179.90(16) . . . . ?
C19 N8 C17 S2 179.58(14) . . . . ?
C18 N8 C17 S2 -0.92(12) . . . . ?
C18 S2 C17 N7 179.83(18) . . . . ?
C18 S2 C17 N8 0.75(10) . . . . ?
C17 N8 C18 S2 0.89(11) . . . . ?
C19 N8 C18 S2 -179.59(13) . . . . ?
C17 S2 C18 N8 -0.70(9) . . . . ?
C17 N8 C19 C20 176.25(15) . . . . ?
C18 N8 C19 C20 -3.1(2) . . . . ?
C17 N8 C19 C24 -4.5(2) . . . . ?
C18 N8 C19 C24 176.15(16) . . . . ?
C24 C19 C20 C21 -0.4(2) . . . . ?
N8 C19 C20 C21 178.89(15) . . . . ?
C19 C20 C21 C22 0.2(3) . . . . ?
C20 C21 C22 C23 0.3(3) . . . . ?
C21 C22 C23 C24 -0.7(3) . . . . ?
C22 C23 C24 C19 0.6(3) . . . . ?
C20 C19 C24 C23 0.0(2) . . . . ?
N8 C19 C24 C23 -179.27(15) . . . . ?

_refine_diff_density_max         0.247
_refine_diff_density_min         -0.364
_refine_diff_density_rms         0.094

