# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_mo_20201231c_0m
_database_code_depnum_ccdc_archive 'CCDC 2406758'
loop_
_audit_author_name
_audit_author_address
'Li Li'
;Anhui Normal University
China
;
_audit_update_record             
;
2025-07-22 deposited with the CCDC.	2025-09-22 downloaded from the CCDC.
;
_audit_creation_date             2020-12-31
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H16 N2 S'
_chemical_formula_sum            'C22 H16 N2 S'
_chemical_formula_weight         340.43
_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'
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'

_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                   10.2433(6)
_cell_length_b                   11.4047(7)
_cell_length_c                   16.4484(9)
_cell_angle_alpha                89.432(2)
_cell_angle_beta                 81.031(2)
_cell_angle_gamma                69.392(2)
_cell_volume                     1774.48(18)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9790
_cell_measurement_temperature    300(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.35
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.188
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            42316
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.491
_diffrn_reflns_theta_min         3.030
_diffrn_ambient_temperature      300.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_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           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6151
_reflns_number_total             8102
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.278
_refine_diff_density_min         -0.510
_refine_diff_density_rms         0.046
_refine_ls_extinction_coef       0.030(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         8102
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0544
_refine_ls_restrained_S_all      1.035
_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)+(0.0648P)²+0.9353P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1364
_refine_ls_wR_factor_ref         0.1553
_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. Rigid bond restraints
 C25, C26
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C7(H7), C8(H8), C9(H9), C12(H12), C13(H13), C16(H16),
 C19(H19), C20(H20), C21(H21), C22(H22), C25(H25), C26(H26), C28(H28), C29(H29),
  C30(H30), C32(H32), C33(H33), C34(H34), C38(H38), C41(H41), C42(H42),
 C43(H43), C44(H44)
3.b Idealised Me refined as rotating group:
 C10(H10A,H10B,H10C), C23(H23A,H23B,H23C)
;
_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
S1 S 0.45555(8) 0.34983(7) 0.11687(4) 0.0713(2) Uani 1 1 d . . . . .
N1 N 0.16055(18) 0.28964(14) 0.15764(10) 0.0466(4) Uani 1 1 d . . . . .
N2 N 0.0282(2) 0.52355(15) 0.09799(10) 0.0518(4) Uani 1 1 d . . . . .
C1 C -0.0320(3) 0.6348(2) 0.06999(15) 0.0653(6) Uani 1 1 d . . . . .
H1 H -0.073623 0.638979 0.023166 0.078 Uiso 1 1 calc R . . . .
C2 C -0.0373(3) 0.7477(2) 0.10629(16) 0.0712(7) Uani 1 1 d . . . . .
H2 H -0.080670 0.823792 0.083524 0.085 Uiso 1 1 calc R . . . .
C3 C 0.0215(3) 0.7441(2) 0.17486(15) 0.0638(6) Uani 1 1 d . . . . .
H3 H 0.019958 0.817857 0.199263 0.077 Uiso 1 1 calc R . . . .
C4 C 0.0849(2) 0.62841(19) 0.20909(12) 0.0471(4) Uani 1 1 d . . . . .
C5 C 0.08591(19) 0.51956(17) 0.16765(11) 0.0401(4) Uani 1 1 d . . . . .
C6 C 0.1489(2) 0.40166(17) 0.20115(11) 0.0426(4) Uani 1 1 d . . . . .
C7 C 0.1957(2) 0.3943(2) 0.27470(13) 0.0528(5) Uani 1 1 d . . . . .
H7 H 0.229563 0.316944 0.298014 0.063 Uiso 1 1 calc R . . . .
C8 C 0.1931(3) 0.5031(3) 0.31578(14) 0.0620(6) Uani 1 1 d . . . . .
H8 H 0.226472 0.497219 0.365664 0.074 Uiso 1 1 calc R . . . .
C9 C 0.1422(3) 0.6161(2) 0.28283(13) 0.0594(6) Uani 1 1 d . . . . .
H9 H 0.145014 0.686809 0.309113 0.071 Uiso 1 1 calc R . . . .
C10 C 0.6936(3) 0.4027(4) 0.0465(2) 0.1011(11) Uani 1 1 d . . . . .
H10A H 0.642456 0.483599 0.073834 0.152 Uiso 1 1 calc GR . . . .
H10B H 0.738752 0.412937 -0.007375 0.152 Uiso 1 1 calc GR . . . .
H10C H 0.763874 0.354386 0.078007 0.152 Uiso 1 1 calc GR . . . .
C11 C 0.5934(3) 0.3361(3) 0.03891(18) 0.0770(8) Uani 1 1 d . . . . .
C12 C 0.5881(4) 0.2654(4) -0.0234(2) 0.1239(15) Uani 1 1 d . . . . .
H12 H 0.653527 0.247310 -0.071792 0.149 Uiso 1 1 calc R . . . .
C13 C 0.4754(4) 0.2198(4) -0.0103(2) 0.1118(13) Uani 1 1 d . . . . .
H13 H 0.459894 0.169174 -0.048857 0.134 Uiso 1 1 calc R . . . .
C14 C 0.3912(3) 0.2575(2) 0.06487(15) 0.0616(6) Uani 1 1 d . . . . .
C15 C 0.2693(2) 0.22300(19) 0.09509(13) 0.0528(5) Uani 1 1 d . . . . .
C16 C 0.2364(3) 0.1255(2) 0.06670(15) 0.0654(6) Uani 1 1 d . . . . .
H16 H 0.292207 0.065428 0.025679 0.078 Uiso 1 1 calc R . . . .
C17 C 0.1040(3) 0.1319(2) 0.11012(15) 0.0608(6) Uani 1 1 d . . . . .
C18 C 0.0582(2) 0.23613(18) 0.16649(13) 0.0500(5) Uani 1 1 d . . . . .
C19 C -0.0703(3) 0.2724(2) 0.21902(16) 0.0616(6) Uani 1 1 d . . . . .
H19 H -0.097749 0.340306 0.256713 0.074 Uiso 1 1 calc R . . . .
C20 C -0.1140(4) 0.1010(3) 0.1584(2) 0.0867(9) Uani 1 1 d . . . . .
H20 H -0.174200 0.056640 0.156111 0.104 Uiso 1 1 calc R . . . .
C21 C 0.0139(4) 0.0632(2) 0.1075(2) 0.0802(8) Uani 1 1 d . . . . .
H21 H 0.041106 -0.006847 0.071711 0.096 Uiso 1 1 calc R . . . .
C22 C -0.1559(3) 0.2037(3) 0.2131(2) 0.0779(8) Uani 1 1 d . . . . .
H22 H -0.243724 0.226919 0.246730 0.094 Uiso 1 1 calc R . . . .
S2 S 0.35578(7) 0.02256(6) 0.39748(4) 0.06303(19) Uani 1 1 d . . . . .
N3 N 0.07530(16) 0.33441(15) 0.47628(10) 0.0445(4) Uani 1 1 d . . . . .
N4 N 0.31902(15) 0.22549(15) 0.54546(10) 0.0439(4) Uani 1 1 d . . . . .
C23 C 0.3784(4) -0.1084(3) 0.2498(2) 0.1024(11) Uani 1 1 d . . . . .
H23A H 0.389919 -0.179293 0.283660 0.154 Uiso 1 1 calc GR . . . .
H23B H 0.441781 -0.134184 0.198441 0.154 Uiso 1 1 calc GR . . . .
H23C H 0.282730 -0.075130 0.239505 0.154 Uiso 1 1 calc GR . . . .
C24 C 0.4109(3) -0.0090(3) 0.29350(16) 0.0703(7) Uani 1 1 d . . . . .
C25 C 0.4755(3) 0.0689(3) 0.26169(16) 0.0754(8) Uani 1 1 d . U . . .
H25 H 0.512616 0.065748 0.206090 0.091 Uiso 1 1 calc R . . . .
C26 C 0.4823(2) 0.1552(2) 0.31897(13) 0.0547(5) Uani 1 1 d . U . . .
H26 H 0.525669 0.213621 0.305514 0.066 Uiso 1 1 calc R . . . .
C27 C 0.41706(19) 0.1448(2) 0.39892(13) 0.0482(5) Uani 1 1 d . . . . .
C28 C -0.0416(2) 0.3853(2) 0.44487(14) 0.0507(5) Uani 1 1 d . . . . .
H28 H -0.049849 0.455317 0.413732 0.061 Uiso 1 1 calc R . . . .
C29 C -0.1549(2) 0.3411(2) 0.45516(14) 0.0547(5) Uani 1 1 d . . . . .
H29 H -0.234341 0.380462 0.430835 0.066 Uiso 1 1 calc R . . . .
C30 C -0.1462(2) 0.2404(2) 0.50105(13) 0.0500(5) Uani 1 1 d . . . . .
H30 H -0.219677 0.209379 0.508414 0.060 Uiso 1 1 calc R . . . .
C31 C -0.02492(17) 0.18288(16) 0.53766(11) 0.0376(4) Uani 1 1 d . . . . .
C32 C -0.0098(2) 0.07992(19) 0.58865(13) 0.0475(4) Uani 1 1 d . . . . .
H32 H -0.080643 0.045752 0.597651 0.057 Uiso 1 1 calc R . . . .
C33 C 0.1073(2) 0.03051(19) 0.62458(14) 0.0526(5) Uani 1 1 d . . . . .
H33 H 0.115219 -0.036104 0.658904 0.063 Uiso 1 1 calc R . . . .
C34 C 0.2168(2) 0.07962(19) 0.61014(13) 0.0488(5) Uani 1 1 d . . . . .
H34 H 0.296579 0.045193 0.635010 0.059 Uiso 1 1 calc R . . . .
C35 C 0.20660(17) 0.17713(16) 0.56002(11) 0.0383(4) Uani 1 1 d . . . . .
C36 C 0.08404(16) 0.23376(15) 0.52300(10) 0.0347(3) Uani 1 1 d . . . . .
C37 C 0.41000(18) 0.21821(19) 0.47164(13) 0.0462(4) Uani 1 1 d . . . . .
C38 C 0.4917(2) 0.2880(2) 0.48227(15) 0.0548(5) Uani 1 1 d . . . . .
H38 H 0.561626 0.298461 0.442658 0.066 Uiso 1 1 calc R . . . .
C39 C 0.4517(2) 0.3412(2) 0.56377(16) 0.0540(5) Uani 1 1 d . . . . .
C40 C 0.34279(19) 0.30077(18) 0.60263(14) 0.0474(4) Uani 1 1 d . . . . .
C41 C 0.2775(2) 0.3356(2) 0.68322(16) 0.0598(6) Uani 1 1 d . . . . .
H41 H 0.205020 0.308753 0.707104 0.072 Uiso 1 1 calc R . . . .
C42 C 0.3240(3) 0.4119(2) 0.72703(19) 0.0723(7) Uani 1 1 d . . . . .
H42 H 0.282749 0.436515 0.781537 0.087 Uiso 1 1 calc R . . . .
C43 C 0.4331(3) 0.4526(2) 0.6901(2) 0.0765(8) Uani 1 1 d . . . . .
H43 H 0.462939 0.503557 0.720771 0.092 Uiso 1 1 calc R . . . .
C44 C 0.4957(3) 0.4187(2) 0.61022(19) 0.0674(7) Uani 1 1 d . . . . .
H44 H 0.567329 0.446766 0.586642 0.081 Uiso 1 1 calc R . . . .


_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 C11 1.716(3) . ?
S1 C14 1.719(3) . ?
N1 C6 1.429(2) . ?
N1 C15 1.392(3) . ?
N1 C18 1.376(3) . ?
N2 C1 1.314(3) . ?
N2 C5 1.362(2) . ?
C1 C2 1.405(3) . ?
C2 C3 1.353(4) . ?
C3 C4 1.405(3) . ?
C4 C5 1.418(2) . ?
C4 C9 1.413(3) . ?
C5 C6 1.419(3) . ?
C6 C7 1.360(3) . ?
C7 C8 1.409(3) . ?
C8 C9 1.351(4) . ?
C10 C11 1.496(4) . ?
C11 C12 1.330(5) . ?
C12 C13 1.411(5) . ?
C13 C14 1.369(4) . ?
C14 C15 1.453(3) . ?
C15 C16 1.375(3) . ?
C16 C17 1.409(4) . ?
C17 C18 1.410(3) . ?
C17 C21 1.410(4) . ?
C18 C19 1.385(3) . ?
C19 C22 1.380(3) . ?
C20 C21 1.367(5) . ?
C20 C22 1.383(4) . ?
S2 C24 1.715(3) . ?
S2 C27 1.720(2) . ?
N3 C28 1.318(2) . ?
N3 C36 1.359(2) . ?
N4 C35 1.430(2) . ?
N4 C37 1.394(3) . ?
N4 C40 1.384(3) . ?
C23 C24 1.506(4) . ?
C24 C25 1.341(4) . ?
C25 C26 1.396(4) . ?
C26 C27 1.403(3) . ?
C27 C37 1.445(3) . ?
C28 C29 1.406(3) . ?
C29 C30 1.352(3) . ?
C30 C31 1.410(3) . ?
C31 C32 1.414(3) . ?
C31 C36 1.418(2) . ?
C32 C33 1.358(3) . ?
C33 C34 1.409(3) . ?
C34 C35 1.362(3) . ?
C35 C36 1.423(2) . ?
C37 C38 1.372(3) . ?
C38 C39 1.415(3) . ?
C39 C40 1.414(3) . ?
C39 C44 1.404(3) . ?
C40 C41 1.382(3) . ?
C41 C42 1.384(3) . ?
C42 C43 1.407(4) . ?
C43 C44 1.364(4) . ?

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
C11 S1 C14 93.84(14) . . ?
C15 N1 C6 126.47(18) . . ?
C18 N1 C6 124.63(17) . . ?
C18 N1 C15 108.69(17) . . ?
C1 N2 C5 117.04(17) . . ?
N2 C1 C2 124.2(2) . . ?
C3 C2 C1 119.0(2) . . ?
C2 C3 C4 119.8(2) . . ?
C3 C4 C5 117.01(19) . . ?
C3 C4 C9 123.74(19) . . ?
C9 C4 C5 119.21(19) . . ?
N2 C5 C4 122.99(17) . . ?
N2 C5 C6 118.90(16) . . ?
C4 C5 C6 118.11(17) . . ?
C5 C6 N1 119.38(16) . . ?
C7 C6 N1 119.78(18) . . ?
C7 C6 C5 120.82(18) . . ?
C6 C7 C8 120.4(2) . . ?
C9 C8 C7 120.1(2) . . ?
C8 C9 C4 121.0(2) . . ?
C10 C11 S1 120.5(3) . . ?
C12 C11 S1 109.5(2) . . ?
C12 C11 C10 129.9(3) . . ?
C11 C12 C13 114.7(3) . . ?
C14 C13 C12 113.3(3) . . ?
C13 C14 S1 108.6(2) . . ?
C13 C14 C15 125.1(3) . . ?
C15 C14 S1 126.34(17) . . ?
N1 C15 C14 124.18(19) . . ?
C16 C15 N1 108.0(2) . . ?
C16 C15 C14 127.8(2) . . ?
C15 C16 C17 108.6(2) . . ?
C16 C17 C18 106.6(2) . . ?
C16 C17 C21 135.4(2) . . ?
C18 C17 C21 118.0(3) . . ?
N1 C18 C17 108.1(2) . . ?
N1 C18 C19 129.30(19) . . ?
C19 C18 C17 122.6(2) . . ?
C22 C19 C18 117.3(2) . . ?
C21 C20 C22 121.5(3) . . ?
C20 C21 C17 119.1(3) . . ?
C19 C22 C20 121.5(3) . . ?
C24 S2 C27 93.49(13) . . ?
C28 N3 C36 116.84(16) . . ?
C37 N4 C35 127.21(16) . . ?
C40 N4 C35 123.30(16) . . ?
C40 N4 C37 109.12(16) . . ?
C23 C24 S2 120.6(2) . . ?
C25 C24 S2 110.5(2) . . ?
C25 C24 C23 128.9(3) . . ?
C24 C25 C26 114.4(2) . . ?
C25 C26 C27 113.1(2) . . ?
C26 C27 S2 108.44(17) . . ?
C26 C27 C37 126.2(2) . . ?
C37 C27 S2 125.22(15) . . ?
N3 C28 C29 124.54(19) . . ?
C30 C29 C28 118.83(18) . . ?
C29 C30 C31 119.49(17) . . ?
C30 C31 C32 122.92(17) . . ?
C30 C31 C36 117.39(17) . . ?
C32 C31 C36 119.68(16) . . ?
C33 C32 C31 120.57(17) . . ?
C32 C33 C34 120.35(18) . . ?
C35 C34 C33 120.47(18) . . ?
C34 C35 N4 119.86(16) . . ?
C34 C35 C36 120.91(16) . . ?
C36 C35 N4 119.21(15) . . ?
N3 C36 C31 122.89(15) . . ?
N3 C36 C35 119.13(15) . . ?
C31 C36 C35 117.98(16) . . ?
N4 C37 C27 124.33(17) . . ?
C38 C37 N4 108.14(19) . . ?
C38 C37 C27 127.49(19) . . ?
C37 C38 C39 108.41(19) . . ?
C40 C39 C38 107.05(18) . . ?
C44 C39 C38 135.0(2) . . ?
C44 C39 C40 117.9(2) . . ?
N4 C40 C39 107.28(19) . . ?
C41 C40 N4 129.77(19) . . ?
C41 C40 C39 123.0(2) . . ?
C40 C41 C42 117.4(2) . . ?
C41 C42 C43 120.8(3) . . ?
C44 C43 C42 121.2(2) . . ?
C43 C44 C39 119.7(2) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
