#------------------------------------------------------------------------------
#$Date: 2024-07-10 04:52:50 +0300 (Wed, 10 Jul 2024) $
#$Revision: 293351 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/31/2023196.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2023196
loop_
_publ_author_name
'Madhan, S.'
'NizamMohideen, M.'
'Pavunkumar, Vinayagam'
'MohanaKrishnan, Arasambattu K.'
_publ_section_title
;
 The crystal structure determination and Hirshfeld surface analysis of
 N-acetyl-N-3-methoxyphenyl and N-phenylsulfonyl-N-(2,5-dimethoxyphenyl)
 derivatives of [1-(phenylsulfonyl)-1H-indol-2-yl]methanamine
;
_journal_coeditor_code           NU2006
_journal_issue                   8
_journal_name_full
'Acta Crystallographica Section E Crystallographic Communications'
_journal_paper_doi               10.1107/S2056989024006649
_journal_volume                  80
_journal_year                    2024
_chemical_formula_iupac          'C24 H22 N2 O4 S'
_chemical_formula_moiety         'C24 H22 N2 O4 S'
_chemical_formula_sum            'C24 H22 N2 O4 S'
_chemical_formula_weight         434.49
_chemical_name_systematic
N-(3-Methoxyphenyl)-N-{[1-(phenylsulfonyl)-1H-indol-2-yl]methyl}acetamide
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 99.388(8)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.6698(17)
_cell_length_b                   19.781(2)
_cell_length_c                   8.1056(10)
_cell_measurement_reflns_used    47234
_cell_measurement_temperature    305(2)
_cell_measurement_theta_max      24.996
_cell_measurement_theta_min      1.403
_cell_volume                     2162.4(4)
_computing_cell_refinement
;
SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX2 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT (Bruker, 2016)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012) and PLATON (Spek, 2020)
;
_computing_publication_material
;
WinGX (Farrugia, 2012), pubCIF (Westrip, 2010) and PLATON (Spek,
2020)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2018/3 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      305(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Venture Diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0867
_diffrn_reflns_av_unetI/netI     0.0309
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            47234
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         68.553
_diffrn_reflns_theta_min         3.277
_diffrn_source                   'micro focus sealed tube'
_exptl_absorpt_coefficient_mu    1.610
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.6341
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Krause et al.,  2015)
;
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_description       prism
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.163
_exptl_crystal_size_mid          0.131
_exptl_crystal_size_min          0.043
_refine_diff_density_max         0.273
_refine_diff_density_min         -0.413
_refine_ls_extinction_coef       0.0036(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method
;
SHELXL2018/3 (Sheldrick, 2015)
;
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     283
_refine_ls_number_reflns         3963
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0994
_refine_ls_R_factor_gt           0.0577
_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)+(0.0662P)²+2.3955P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1376
_refine_ls_wR_factor_ref         0.1785
_reflns_number_gt                2595
_reflns_number_total             3963
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            nu2006.cif
_cod_data_source_block           I
_cod_original_cell_volume        2162.4(5)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2023196
_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.
;
_shelx_estimated_absorpt_t_min   0.779
_shelx_estimated_absorpt_t_max   0.934
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.5527(2) 0.58150(16) 0.5180(4) 0.0494(8) Uani d 1 . .
C C2 0.4749(3) 0.61289(19) 0.5779(5) 0.0613(9) Uani d 1 . .
H H2 0.471182 0.613774 0.691426 0.074 Uiso calc 1 . .
C C3 0.4031(3) 0.6428(2) 0.4613(5) 0.0727(11) Uani d 1 . .
H H3 0.350636 0.665179 0.497364 0.087 Uiso calc 1 . .
C C4 0.4072(3) 0.6402(2) 0.2915(5) 0.0781(12) Uani d 1 . .
H H4 0.357245 0.660465 0.216034 0.094 Uiso calc 1 . .
C C5 0.4840(3) 0.6083(2) 0.2333(5) 0.0673(10) Uani d 1 . .
H H5 0.485845 0.606208 0.119252 0.081 Uiso calc 1 . .
C C6 0.5586(2) 0.57918(17) 0.3473(4) 0.0513(8) Uani d 1 . .
C C7 0.6486(3) 0.54485(18) 0.3303(4) 0.0555(8) Uani d 1 . .
H H7 0.670758 0.536369 0.229756 0.067 Uiso calc 1 . .
C C8 0.6960(2) 0.52676(16) 0.4825(4) 0.0502(8) Uani d 1 . .
C C9 0.7198(3) 0.64340(19) 0.8178(4) 0.0599(9) Uani d 1 . .
C C10 0.6621(4) 0.6939(2) 0.8699(6) 0.0867(13) Uani d 1 . .
H H10 0.600910 0.683953 0.899914 0.104 Uiso calc 1 . .
C C11 0.6973(5) 0.7597(3) 0.8766(8) 0.1113(19) Uani d 1 . .
H H11 0.659700 0.794043 0.913607 0.134 Uiso calc 1 . .
C C12 0.7863(5) 0.7751(3) 0.8299(7) 0.1083(18) Uani d 1 . .
H H12 0.808546 0.819604 0.833023 0.130 Uiso calc 1 . .
C C13 0.8418(4) 0.7248(3) 0.7790(7) 0.1038(17) Uani d 1 . .
H H13 0.902906 0.735134 0.748880 0.125 Uiso calc 1 . .
C C14 0.8097(3) 0.6589(2) 0.7709(6) 0.0824(12) Uani d 1 . .
H H14 0.848301 0.625099 0.734269 0.099 Uiso calc 1 . .
C C15 0.7907(3) 0.48792(19) 0.5282(4) 0.0591(9) Uani d 1 . .
H H15A 0.837940 0.514936 0.602804 0.071 Uiso calc 1 . .
H H15B 0.777940 0.446945 0.586890 0.071 Uiso calc 1 . .
C C16 0.8217(2) 0.40106(16) 0.3218(4) 0.0484(8) Uani d 1 . .
C C17 0.8897(2) 0.35387(16) 0.3928(4) 0.0525(8) Uani d 1 . .
H H17 0.943506 0.367152 0.471601 0.063 Uiso calc 1 . .
C C18 0.8780(3) 0.28657(17) 0.3468(4) 0.0544(8) Uani d 1 . .
C C19 0.7983(3) 0.26690(19) 0.2299(5) 0.0618(9) Uani d 1 . .
H H19 0.789780 0.221723 0.199177 0.074 Uiso calc 1 . .
C C20 0.7312(3) 0.3150(2) 0.1590(5) 0.0672(10) Uani d 1 . .
H H20 0.677551 0.301742 0.079824 0.081 Uiso calc 1 . .
C C21 0.7419(3) 0.38218(19) 0.2031(4) 0.0607(9) Uani d 1 . .
H H21 0.696470 0.414191 0.153903 0.073 Uiso calc 1 . .
C C22 0.9413(4) 0.1736(2) 0.3867(6) 0.0915(14) Uani d 1 . .
H H22A 0.879674 0.156372 0.411348 0.137 Uiso calc 1 . .
H H22B 0.995389 0.149874 0.452372 0.137 Uiso calc 1 . .
H H22C 0.943939 0.167330 0.270103 0.137 Uiso calc 1 . .
C C23 0.8979(3) 0.51411(18) 0.3257(5) 0.0578(9) Uani d 1 . .
C C24 0.9462(3) 0.4928(2) 0.1812(5) 0.0687(10) Uani d 1 . .
H H24A 0.992634 0.526852 0.159832 0.103 Uiso calc 1 . .
H H24B 0.896515 0.487187 0.083803 0.103 Uiso calc 1 . .
H H24C 0.980398 0.450824 0.207134 0.103 Uiso calc 1 . .
N N1 0.63700(19) 0.54697(14) 0.6039(3) 0.0495(7) Uani d 1 . .
N N2 0.8335(2) 0.47013(13) 0.3784(3) 0.0516(7) Uani d 1 . .
O O1 0.5933(2) 0.55538(14) 0.8893(3) 0.0732(8) Uani d 1 . .
O O2 0.7592(2) 0.51507(13) 0.8517(3) 0.0735(8) Uani d 1 . .
O O3 0.9487(2) 0.24362(12) 0.4258(4) 0.0755(8) Uani d 1 . .
O O4 0.9139(2) 0.56971(13) 0.3939(4) 0.0815(9) Uani d 1 . .
S S1 0.67746(7) 0.55995(5) 0.80653(10) 0.0577(3) Uani d 1 . .
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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 C6 . . 122.1(3) ?
C2 C1 N1 . . 130.7(3) ?
C6 C1 N1 . . 107.2(3) ?
C3 C2 C1 . . 116.9(3) ?
C3 C2 H2 . . 121.5 ?
C1 C2 H2 . . 121.5 ?
C2 C3 C4 . . 121.7(4) ?
C2 C3 H3 . . 119.2 ?
C4 C3 H3 . . 119.2 ?
C5 C4 C3 . . 121.0(4) ?
C5 C4 H4 . . 119.5 ?
C3 C4 H4 . . 119.5 ?
C4 C5 C6 . . 118.9(4) ?
C4 C5 H5 . . 120.6 ?
C6 C5 H5 . . 120.6 ?
C5 C6 C1 . . 119.4(3) ?
C5 C6 C7 . . 133.1(3) ?
C1 C6 C7 . . 107.5(3) ?
C8 C7 C6 . . 109.3(3) ?
C8 C7 H7 . . 125.3 ?
C6 C7 H7 . . 125.3 ?
C7 C8 N1 . . 108.4(3) ?
C7 C8 C15 . . 129.1(3) ?
N1 C8 C15 . . 122.4(3) ?
C14 C9 C10 . . 120.1(4) ?
C14 C9 S1 . . 119.9(3) ?
C10 C9 S1 . . 119.9(3) ?
C9 C10 C11 . . 118.7(5) ?
C9 C10 H10 . . 120.7 ?
C11 C10 H10 . . 120.7 ?
C12 C11 C10 . . 121.1(5) ?
C12 C11 H11 . . 119.4 ?
C10 C11 H11 . . 119.4 ?
C13 C12 C11 . . 119.3(5) ?
C13 C12 H12 . . 120.4 ?
C11 C12 H12 . . 120.4 ?
C12 C13 C14 . . 121.4(5) ?
C12 C13 H13 . . 119.3 ?
C14 C13 H13 . . 119.3 ?
C13 C14 C9 . . 119.4(5) ?
C13 C14 H14 . . 120.3 ?
C9 C14 H14 . . 120.3 ?
N2 C15 C8 . . 111.2(3) ?
N2 C15 H15A . . 109.4 ?
C8 C15 H15A . . 109.4 ?
N2 C15 H15B . . 109.4 ?
C8 C15 H15B . . 109.4 ?
H15A C15 H15B . . 108.0 ?
C17 C16 C21 . . 120.7(3) ?
C17 C16 N2 . . 118.5(3) ?
C21 C16 N2 . . 120.8(3) ?
C16 C17 C18 . . 120.0(3) ?
C16 C17 H17 . . 120.0 ?
C18 C17 H17 . . 120.0 ?
O3 C18 C19 . . 124.5(3) ?
O3 C18 C17 . . 115.5(3) ?
C19 C18 C17 . . 120.0(3) ?
C18 C19 C20 . . 119.3(3) ?
C18 C19 H19 . . 120.4 ?
C20 C19 H19 . . 120.4 ?
C21 C20 C19 . . 121.4(3) ?
C21 C20 H20 . . 119.3 ?
C19 C20 H20 . . 119.3 ?
C20 C21 C16 . . 118.6(3) ?
C20 C21 H21 . . 120.7 ?
C16 C21 H21 . . 120.7 ?
O3 C22 H22A . . 109.5 ?
O3 C22 H22B . . 109.5 ?
H22A C22 H22B . . 109.5 ?
O3 C22 H22C . . 109.5 ?
H22A C22 H22C . . 109.5 ?
H22B C22 H22C . . 109.5 ?
O4 C23 N2 . . 120.5(4) ?
O4 C23 C24 . . 122.2(4) ?
N2 C23 C24 . . 117.3(3) ?
C23 C24 H24A . . 109.5 ?
C23 C24 H24B . . 109.5 ?
H24A C24 H24B . . 109.5 ?
C23 C24 H24C . . 109.5 ?
H24A C24 H24C . . 109.5 ?
H24B C24 H24C . . 109.5 ?
C1 N1 C8 . . 107.5(2) ?
C1 N1 S1 . . 121.4(2) ?
C8 N1 S1 . . 126.1(2) ?
C23 N2 C16 . . 123.5(3) ?
C23 N2 C15 . . 118.2(3) ?
C16 N2 C15 . . 116.7(3) ?
C18 O3 C22 . . 118.9(3) ?
O1 S1 O2 . . 119.83(17) ?
O1 S1 N1 . . 106.91(15) ?
O2 S1 N1 . . 106.10(14) ?
O1 S1 C9 . . 108.73(18) ?
O2 S1 C9 . . 109.62(18) ?
N1 S1 C9 . . 104.54(15) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
C1 C2 . 1.386(5) ?
C1 C6 . 1.400(4) ?
C1 N1 . 1.420(4) ?
C2 C3 . 1.379(5) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.387(6) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.373(5) ?
C4 H4 . 0.9300 ?
C5 C6 . 1.385(5) ?
C5 H5 . 0.9300 ?
C6 C7 . 1.431(5) ?
C7 C8 . 1.345(4) ?
C7 H7 . 0.9300 ?
C8 N1 . 1.427(4) ?
C8 C15 . 1.499(5) ?
C9 C14 . 1.380(6) ?
C9 C10 . 1.381(5) ?
C9 S1 . 1.746(4) ?
C10 C11 . 1.386(7) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.365(8) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.357(8) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.373(6) ?
C13 H13 . 0.9300 ?
C14 H14 . 0.9300 ?
C15 N2 . 1.473(4) ?
C15 H15A . 0.9700 ?
C15 H15B . 0.9700 ?
C16 C17 . 1.375(5) ?
C16 C21 . 1.383(5) ?
C16 N2 . 1.442(4) ?
C17 C18 . 1.385(5) ?
C17 H17 . 0.9300 ?
C18 O3 . 1.366(4) ?
C18 C19 . 1.378(5) ?
C19 C20 . 1.380(5) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.378(5) ?
C20 H20 . 0.9300 ?
C21 H21 . 0.9300 ?
C22 O3 . 1.420(5) ?
C22 H22A . 0.9600 ?
C22 H22B . 0.9600 ?
C22 H22C . 0.9600 ?
C23 O4 . 1.234(4) ?
C23 N2 . 1.356(4) ?
C23 C24 . 1.496(5) ?
C24 H24A . 0.9600 ?
C24 H24B . 0.9600 ?
C24 H24C . 0.9600 ?
N1 S1 . 1.665(3) ?
O1 S1 . 1.426(3) ?
O2 S1 . 1.427(3) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
C2 H2 O1 . 0.93 2.41 2.993(5) 120 yes
C5 H5 O1 1_554 0.93 2.75 3.530(5) 143 yes
C7 H7 O1 1_554 0.93 2.81 3.537(4) 135 yes
C12 H12 O4 4_576 0.93 2.62 3.527(6) 164 yes
C13 H13 O3 3_766 0.93 2.69 3.591(7) 164 yes
C17 H17 O4 3_766 0.93 2.42 3.312(4) 161 yes
C24 H24B O2 1_554 0.96 2.49 3.410(5) 160 yes
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C6 C1 C2 C3 . . . . -0.7(6) ?
N1 C1 C2 C3 . . . . 179.7(4) ?
C1 C2 C3 C4 . . . . 1.5(6) ?
C2 C3 C4 C5 . . . . -0.7(7) ?
C3 C4 C5 C6 . . . . -0.9(7) ?
C4 C5 C6 C1 . . . . 1.7(6) ?
C4 C5 C6 C7 . . . . -177.7(4) ?
C2 C1 C6 C5 . . . . -0.9(5) ?
N1 C1 C6 C5 . . . . 178.8(3) ?
C2 C1 C6 C7 . . . . 178.6(3) ?
N1 C1 C6 C7 . . . . -1.7(4) ?
C5 C6 C7 C8 . . . . 179.4(4) ?
C1 C6 C7 C8 . . . . 0.0(4) ?
C6 C7 C8 N1 . . . . 1.7(4) ?
C6 C7 C8 C15 . . . . 177.7(3) ?
C14 C9 C10 C11 . . . . -1.1(7) ?
S1 C9 C10 C11 . . . . -179.6(4) ?
C9 C10 C11 C12 . . . . 1.2(8) ?
C10 C11 C12 C13 . . . . -1.2(9) ?
C11 C12 C13 C14 . . . . 1.0(9) ?
C12 C13 C14 C9 . . . . -0.9(8) ?
C10 C9 C14 C13 . . . . 0.9(7) ?
S1 C9 C14 C13 . . . . 179.5(4) ?
C7 C8 C15 N2 . . . . 1.1(5) ?
N1 C8 C15 N2 . . . . 176.6(3) ?
C21 C16 C17 C18 . . . . -0.7(5) ?
N2 C16 C17 C18 . . . . 177.0(3) ?
C16 C17 C18 O3 . . . . -179.3(3) ?
C16 C17 C18 C19 . . . . 0.1(5) ?
O3 C18 C19 C20 . . . . 179.7(3) ?
C17 C18 C19 C20 . . . . 0.4(5) ?
C18 C19 C20 C21 . . . . -0.3(6) ?
C19 C20 C21 C16 . . . . -0.4(6) ?
C17 C16 C21 C20 . . . . 0.9(5) ?
N2 C16 C21 C20 . . . . -176.8(3) ?
C2 C1 N1 C8 . . . . -177.6(4) ?
C6 C1 N1 C8 . . . . 2.7(4) ?
C2 C1 N1 S1 . . . . -21.1(5) ?
C6 C1 N1 S1 . . . . 159.3(2) ?
C7 C8 N1 C1 . . . . -2.7(4) ?
C15 C8 N1 C1 . . . . -179.1(3) ?
C7 C8 N1 S1 . . . . -157.9(3) ?
C15 C8 N1 S1 . . . . 25.7(5) ?
O4 C23 N2 C16 . . . . -170.7(3) ?
C24 C23 N2 C16 . . . . 10.4(5) ?
O4 C23 N2 C15 . . . . -5.6(5) ?
C24 C23 N2 C15 . . . . 175.6(3) ?
C17 C16 N2 C23 . . . . 80.1(4) ?
C21 C16 N2 C23 . . . . -102.1(4) ?
C17 C16 N2 C15 . . . . -85.2(4) ?
C21 C16 N2 C15 . . . . 92.5(4) ?
C8 C15 N2 C23 . . . . 90.1(4) ?
C8 C15 N2 C16 . . . . -103.7(3) ?
C19 C18 O3 C22 . . . . 0.1(6) ?
C17 C18 O3 C22 . . . . 179.4(4) ?
C1 N1 S1 O1 . . . . 48.3(3) ?
C8 N1 S1 O1 . . . . -159.7(3) ?
C1 N1 S1 O2 . . . . 177.3(3) ?
C8 N1 S1 O2 . . . . -30.7(3) ?
C1 N1 S1 C9 . . . . -66.9(3) ?
C8 N1 S1 C9 . . . . 85.1(3) ?
C14 C9 S1 O1 . . . . 169.5(3) ?
C10 C9 S1 O1 . . . . -11.9(4) ?
C14 C9 S1 O2 . . . . 36.8(4) ?
C10 C9 S1 O2 . . . . -144.7(3) ?
C14 C9 S1 N1 . . . . -76.6(3) ?
C10 C9 S1 N1 . . . . 102.0(3) ?
