#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/10/2221058.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_2221058
loop_
_publ_author_name
'Gowda, B. Thimme'
'Foro, Sabine'
'Nirmala, P. G.'
'Babitha, K. S.'
'Fuess, Hartmut'
_publ_section_title
;
 4-Chloro-2-methyl-N-phenylbenzenesulfonamide
;
_journal_coeditor_code           FJ2192
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o476
_journal_paper_doi               10.1107/S1600536809003845
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C13 H12 Cl N O2 S'
_chemical_formula_moiety         'C13 H12 Cl N O2 S'
_chemical_formula_sum            'C13 H12 Cl N O2 S'
_chemical_formula_weight         281.75
_chemical_name_systematic
;
4-Chloro-2-methyl-N-phenylbenzenesulfonamide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.618(7)
_cell_angle_beta                 90.951(8)
_cell_angle_gamma                105.790(10)
_cell_formula_units_Z            4
_cell_length_a                   8.6090(10)
_cell_length_b                   11.1430(10)
_cell_length_c                   14.726(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      21.78
_cell_measurement_theta_min      5.55
_cell_volume                     1341.6(3)
_computing_cell_refinement       'CAD-4-PC (Enraf--Nonius, 1996)'
_computing_data_collection       'CAD-4-PC (Enraf--Nonius, 1996)'
_computing_data_reduction        'REDU4 (Stoe & Cie, 1987)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      299(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_sigmaI/netI    0.0624
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7620
_diffrn_reflns_theta_full        66.95
_diffrn_reflns_theta_max         66.95
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        1.0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.926
_exptl_absorpt_correction_T_max  0.7292
_exptl_absorpt_correction_T_min  0.3502
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North et al.,  1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.409
_refine_diff_density_min         -0.419
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         4784
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.072
_refine_ls_R_factor_all          0.1031
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0962P)²+0.1233P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1523
_refine_ls_wR_factor_ref         0.1763
_reflns_number_gt                2980
_reflns_number_total             4784
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            fj2192.cif
_cod_data_source_block           I
_cod_database_code               2221058
_cod_database_fobs_code          2221058
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cl Cl1 0.4618(4) 0.43860(18) 0.24063(15) 0.1670(10) Uani d U 1 . .
S S1 0.46343(11) 0.96896(11) 0.15504(7) 0.0586(3) Uani d . 1 . .
O O1 0.4383(4) 1.0364(3) 0.2403(2) 0.0802(9) Uani d . 1 . .
O O2 0.3532(3) 0.9562(3) 0.07717(19) 0.0722(8) Uani d . 1 . .
N N1 0.6377(4) 1.0345(3) 0.1199(2) 0.0611(9) Uani d . 1 . .
H H1N 0.647(5) 1.039(4) 0.059(3) 0.073 Uiso d . 1 . .
C C1 0.4664(4) 0.8182(4) 0.1749(3) 0.0565(10) Uani d . 1 . .
C C2 0.4758(8) 0.7240(5) 0.1044(3) 0.0907(16) Uani d . 1 . .
C C3 0.4778(10) 0.6088(5) 0.1273(4) 0.120(2) Uani d . 1 . .
H H3 0.4876 0.5444 0.0816 0.144 Uiso calc R 1 . .
C C4 0.4653(7) 0.5877(5) 0.2179(4) 0.0910(16) Uani d . 1 . .
C C5 0.4560(6) 0.6791(5) 0.2862(3) 0.0768(13) Uani d . 1 . .
H H5 0.4494 0.6642 0.3467 0.092 Uiso calc R 1 . .
C C6 0.4563(5) 0.7946(5) 0.2653(3) 0.0663(11) Uani d . 1 . .
H H6 0.4495 0.8586 0.3122 0.080 Uiso calc R 1 . .
C C7 0.7894(4) 1.0635(3) 0.1698(3) 0.0522(9) Uani d . 1 . .
C C8 0.9247(5) 1.0883(4) 0.1201(3) 0.0701(12) Uani d . 1 . .
H H8 0.9151 1.0848 0.0567 0.084 Uiso calc R 1 . .
C C9 1.0763(6) 1.1187(5) 0.1656(4) 0.0865(15) Uani d . 1 . .
H H9 1.1685 1.1358 0.1323 0.104 Uiso calc R 1 . .
C C10 1.0914(6) 1.1239(5) 0.2591(4) 0.0834(15) Uani d . 1 . .
H H10 1.1933 1.1440 0.2891 0.100 Uiso calc R 1 . .
C C11 0.9570(6) 1.0995(4) 0.3074(3) 0.0718(12) Uani d . 1 . .
H H11 0.9671 1.1026 0.3707 0.086 Uiso calc R 1 . .
C C12 0.8054(5) 1.0701(4) 0.2639(3) 0.0653(11) Uani d . 1 . .
H H12 0.7141 1.0547 0.2980 0.078 Uiso calc R 1 . .
C C13 0.4894(9) 0.7419(4) 0.0007(3) 0.102(2) Uani d . 1 . .
H H13A 0.5834 0.8097 -0.0050 0.123 Uiso calc R 1 . .
H H13B 0.3947 0.7616 -0.0205 0.123 Uiso calc R 1 . .
H H13C 0.4985 0.6653 -0.0357 0.123 Uiso calc R 1 . .
Cl Cl2 0.1160(4) 0.3570(3) 0.99174(14) 0.1919(12) Uani d U 1 . .
S S2 -0.06931(11) 0.32374(9) 0.57752(8) 0.0560(3) Uani d . 1 . .
O O3 -0.1468(3) 0.4185(3) 0.5635(2) 0.0703(8) Uani d . 1 . .
O O4 -0.1553(3) 0.1953(3) 0.5486(2) 0.0727(8) Uani d . 1 . .
N N2 0.0946(4) 0.3586(3) 0.5248(2) 0.0581(9) Uani d . 1 . .
H H2N 0.114(5) 0.431(4) 0.503(3) 0.070 Uiso d . 1 . .
C C14 -0.0126(5) 0.3404(4) 0.6948(3) 0.0569(10) Uani d . 1 . .
C C15 0.0592(7) 0.4573(4) 0.7478(4) 0.0803(13) Uani d . 1 . .
C C16 0.0983(8) 0.4591(6) 0.8395(4) 0.115(2) Uani d . 1 . .
H H16 0.1457 0.5359 0.8770 0.138 Uiso calc R 1 . .
C C17 0.0679(8) 0.3489(7) 0.8762(4) 0.110(2) Uani d . 1 . .
C C18 -0.0041(7) 0.2348(6) 0.8243(4) 0.0906(16) Uani d . 1 . .
H H18 -0.0267 0.1612 0.8502 0.109 Uiso calc R 1 . .
C C19 -0.0424(5) 0.2309(4) 0.7334(3) 0.0679(11) Uani d . 1 . .
H H19 -0.0894 0.1533 0.6967 0.081 Uiso calc R 1 . .
C C20 0.2114(4) 0.2902(3) 0.5100(2) 0.0477(8) Uani d . 1 . .
C C21 0.1911(5) 0.1719(4) 0.5338(3) 0.0610(10) Uani d . 1 . .
H H21 0.0998 0.1346 0.5632 0.073 Uiso calc R 1 . .
C C22 0.3085(6) 0.1093(4) 0.5135(3) 0.0692(12) Uani d . 1 . .
H H22 0.2954 0.0292 0.5286 0.083 Uiso calc R 1 . .
C C23 0.4443(6) 0.1657(5) 0.4708(3) 0.0742(13) Uani d . 1 . .
H H23 0.5231 0.1238 0.4574 0.089 Uiso calc R 1 . .
C C24 0.4630(5) 0.2827(5) 0.4484(3) 0.0723(12) Uani d . 1 . .
H H24 0.5551 0.3209 0.4201 0.087 Uiso calc R 1 . .
C C25 0.3464(4) 0.3451(4) 0.4674(3) 0.0577(10) Uani d . 1 . .
H H25 0.3596 0.4247 0.4513 0.069 Uiso calc R 1 . .
C C26 0.0961(9) 0.5821(4) 0.7100(4) 0.111(2) Uani d . 1 . .
H H26A 0.1530 0.5749 0.6548 0.133 Uiso calc R 1 . .
H H26B 0.1619 0.6486 0.7550 0.133 Uiso calc R 1 . .
H H26C -0.0033 0.6010 0.6965 0.133 Uiso calc R 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'
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'
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
O1 S1 O2 . . 118.88(18) ?
O1 S1 N1 . . 110.6(2) ?
O2 S1 N1 . . 103.80(17) ?
O1 S1 C1 . . 106.88(19) ?
O2 S1 C1 . . 109.17(19) ?
N1 S1 C1 . . 107.02(18) ?
C7 N1 S1 . . 126.6(3) ?
C7 N1 H1N . . 113(3) ?
S1 N1 H1N . . 119(3) ?
C2 C1 C6 . . 120.1(4) ?
C2 C1 S1 . . 122.2(3) ?
C6 C1 S1 . . 117.7(3) ?
C3 C2 C1 . . 117.7(4) ?
C3 C2 C13 . . 118.5(4) ?
C1 C2 C13 . . 123.8(4) ?
C2 C3 C4 . . 120.8(5) ?
C2 C3 H3 . . 119.6 ?
C4 C3 H3 . . 119.6 ?
C5 C4 C3 . . 121.4(5) ?
C5 C4 Cl1 . . 120.5(4) ?
C3 C4 Cl1 . . 118.0(4) ?
C4 C5 C6 . . 118.7(4) ?
C4 C5 H5 . . 120.6 ?
C6 C5 H5 . . 120.6 ?
C5 C6 C1 . . 121.2(4) ?
C5 C6 H6 . . 119.4 ?
C1 C6 H6 . . 119.4 ?
C8 C7 C12 . . 119.8(4) ?
C8 C7 N1 . . 116.9(4) ?
C12 C7 N1 . . 123.3(4) ?
C7 C8 C9 . . 119.3(4) ?
C7 C8 H8 . . 120.4 ?
C9 C8 H8 . . 120.4 ?
C10 C9 C8 . . 120.7(5) ?
C10 C9 H9 . . 119.7 ?
C8 C9 H9 . . 119.7 ?
C11 C10 C9 . . 119.5(4) ?
C11 C10 H10 . . 120.2 ?
C9 C10 H10 . . 120.2 ?
C10 C11 C12 . . 120.9(4) ?
C10 C11 H11 . . 119.6 ?
C12 C11 H11 . . 119.6 ?
C11 C12 C7 . . 119.9(4) ?
C11 C12 H12 . . 120.1 ?
C7 C12 H12 . . 120.1 ?
C2 C13 H13A . . 109.5 ?
C2 C13 H13B . . 109.5 ?
H13A C13 H13B . . 109.5 ?
C2 C13 H13C . . 109.5 ?
H13A C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
O4 S2 O3 . . 118.30(18) ?
O4 S2 N2 . . 110.14(19) ?
O3 S2 N2 . . 104.50(17) ?
O4 S2 C14 . . 107.02(18) ?
O3 S2 C14 . . 109.55(19) ?
N2 S2 C14 . . 106.81(18) ?
C20 N2 S2 . . 128.7(3) ?
C20 N2 H2N . . 116(3) ?
S2 N2 H2N . . 115(3) ?
C19 C14 C15 . . 120.7(4) ?
C19 C14 S2 . . 117.1(3) ?
C15 C14 S2 . . 122.3(3) ?
C16 C15 C14 . . 117.3(5) ?
C16 C15 C26 . . 119.1(5) ?
C14 C15 C26 . . 123.6(5) ?
C17 C16 C15 . . 121.0(6) ?
C17 C16 H16 . . 119.5 ?
C15 C16 H16 . . 119.5 ?
C18 C17 C16 . . 121.4(6) ?
C18 C17 Cl2 . . 119.5(5) ?
C16 C17 Cl2 . . 119.1(6) ?
C17 C18 C19 . . 118.4(5) ?
C17 C18 H18 . . 120.8 ?
C19 C18 H18 . . 120.8 ?
C18 C19 C14 . . 121.1(5) ?
C18 C19 H19 . . 119.4 ?
C14 C19 H19 . . 119.4 ?
C25 C20 C21 . . 120.2(3) ?
C25 C20 N2 . . 116.9(3) ?
C21 C20 N2 . . 123.0(3) ?
C20 C21 C22 . . 119.3(4) ?
C20 C21 H21 . . 120.4 ?
C22 C21 H21 . . 120.4 ?
C23 C22 C21 . . 120.1(4) ?
C23 C22 H22 . . 120.0 ?
C21 C22 H22 . . 120.0 ?
C24 C23 C22 . . 119.9(4) ?
C24 C23 H23 . . 120.1 ?
C22 C23 H23 . . 120.1 ?
C23 C24 C25 . . 120.5(4) ?
C23 C24 H24 . . 119.7 ?
C25 C24 H24 . . 119.7 ?
C20 C25 C24 . . 120.1(4) ?
C20 C25 H25 . . 119.9 ?
C24 C25 H25 . . 119.9 ?
C15 C26 H26A . . 109.5 ?
C15 C26 H26B . . 109.5 ?
H26A C26 H26B . . 109.5 ?
C15 C26 H26C . . 109.5 ?
H26A C26 H26C . . 109.5 ?
H26B C26 H26C . . 109.5 ?
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
Cl1 C4 . 1.735(6) ?
S1 O1 . 1.415(3) ?
S1 O2 . 1.441(3) ?
S1 N1 . 1.611(4) ?
S1 C1 . 1.754(4) ?
N1 C7 . 1.419(5) ?
N1 H1N . 0.91(5) ?
C1 C2 . 1.382(6) ?
C1 C6 . 1.395(5) ?
C2 C3 . 1.380(7) ?
C2 C13 . 1.571(6) ?
C3 C4 . 1.390(7) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.340(7) ?
C5 C6 . 1.367(6) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C7 C8 . 1.372(5) ?
C7 C12 . 1.380(5) ?
C8 C9 . 1.388(6) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.372(7) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.353(7) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.377(6) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 H13A . 0.9600 ?
C13 H13B . 0.9600 ?
C13 H13C . 0.9600 ?
Cl2 C17 . 1.727(6) ?
S2 O4 . 1.417(3) ?
S2 O3 . 1.431(3) ?
S2 N2 . 1.604(3) ?
S2 C14 . 1.756(4) ?
N2 C20 . 1.419(4) ?
N2 H2N . 0.88(4) ?
C14 C19 . 1.385(5) ?
C14 C15 . 1.389(6) ?
C15 C16 . 1.383(7) ?
C15 C26 . 1.529(7) ?
C16 C17 . 1.378(8) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.360(8) ?
C18 C19 . 1.366(7) ?
C18 H18 . 0.9300 ?
C19 H19 . 0.9300 ?
C20 C25 . 1.367(5) ?
C20 C21 . 1.381(5) ?
C21 C22 . 1.389(5) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.379(6) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.361(6) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.378(5) ?
C24 H24 . 0.9300 ?
C25 H25 . 0.9300 ?
C26 H26A . 0.9600 ?
C26 H26B . 0.9600 ?
C26 H26C . 0.9600 ?
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
N1 H1N O2 2_675 0.91(5) 2.02(5) 2.922(4) 175(4)
N2 H2N O3 2_566 0.88(4) 2.03(5) 2.906(4) 173(4)
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
O1 S1 N1 C7 . . . . 54.0(4) ?
O2 S1 N1 C7 . . . . -177.4(3) ?
C1 S1 N1 C7 . . . . -62.0(4) ?
O1 S1 C1 C2 . . . . 174.7(4) ?
O2 S1 C1 C2 . . . . 44.9(5) ?
N1 S1 C1 C2 . . . . -66.8(4) ?
O1 S1 C1 C6 . . . . -4.2(4) ?
O2 S1 C1 C6 . . . . -134.0(3) ?
N1 S1 C1 C6 . . . . 114.2(3) ?
C6 C1 C2 C3 . . . . -1.2(8) ?
S1 C1 C2 C3 . . . . 179.9(5) ?
C6 C1 C2 C13 . . . . -179.3(5) ?
S1 C1 C2 C13 . . . . 1.7(8) ?
C1 C2 C3 C4 . . . . 2.1(10) ?
C13 C2 C3 C4 . . . . -179.7(6) ?
C2 C3 C4 C5 . . . . -2.0(11) ?
C2 C3 C4 Cl1 . . . . 177.8(6) ?
C3 C4 C5 C6 . . . . 1.0(9) ?
Cl1 C4 C5 C6 . . . . -178.9(4) ?
C4 C5 C6 C1 . . . . -0.1(7) ?
C2 C1 C6 C5 . . . . 0.3(7) ?
S1 C1 C6 C5 . . . . 179.2(3) ?
S1 N1 C7 C8 . . . . 163.5(3) ?
S1 N1 C7 C12 . . . . -17.8(6) ?
C12 C7 C8 C9 . . . . 0.5(6) ?
N1 C7 C8 C9 . . . . 179.2(4) ?
C7 C8 C9 C10 . . . . 0.1(7) ?
C8 C9 C10 C11 . . . . -0.2(8) ?
C9 C10 C11 C12 . . . . -0.3(7) ?
C10 C11 C12 C7 . . . . 0.9(7) ?
C8 C7 C12 C11 . . . . -1.0(6) ?
N1 C7 C12 C11 . . . . -179.7(4) ?
O4 S2 N2 C20 . . . . -46.3(4) ?
O3 S2 N2 C20 . . . . -174.3(3) ?
C14 S2 N2 C20 . . . . 69.6(4) ?
O4 S2 C14 C19 . . . . 6.9(4) ?
O3 S2 C14 C19 . . . . 136.3(3) ?
N2 S2 C14 C19 . . . . -111.1(3) ?
O4 S2 C14 C15 . . . . -173.1(4) ?
O3 S2 C14 C15 . . . . -43.7(4) ?
N2 S2 C14 C15 . . . . 68.9(4) ?
C19 C14 C15 C16 . . . . -0.3(7) ?
S2 C14 C15 C16 . . . . 179.7(4) ?
C19 C14 C15 C26 . . . . 179.9(5) ?
S2 C14 C15 C26 . . . . -0.1(7) ?
C14 C15 C16 C17 . . . . 0.5(9) ?
C26 C15 C16 C17 . . . . -179.6(6) ?
C15 C16 C17 C18 . . . . -1.3(11) ?
C15 C16 C17 Cl2 . . . . -178.9(5) ?
C16 C17 C18 C19 . . . . 1.8(10) ?
Cl2 C17 C18 C19 . . . . 179.4(4) ?
C17 C18 C19 C14 . . . . -1.5(8) ?
C15 C14 C19 C18 . . . . 0.8(7) ?
S2 C14 C19 C18 . . . . -179.2(4) ?
S2 N2 C20 C25 . . . . -176.1(3) ?
S2 N2 C20 C21 . . . . 5.9(6) ?
C25 C20 C21 C22 . . . . -0.5(6) ?
N2 C20 C21 C22 . . . . 177.4(4) ?
C20 C21 C22 C23 . . . . 0.7(6) ?
C21 C22 C23 C24 . . . . -0.2(7) ?
C22 C23 C24 C25 . . . . -0.5(7) ?
C21 C20 C25 C24 . . . . -0.2(6) ?
N2 C20 C25 C24 . . . . -178.2(4) ?
C23 C24 C25 C20 . . . . 0.7(7) ?
