#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/55/2225533.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_2225533
loop_
_publ_author_name
'Suchetan, P. A.'
'Gowda, B. Thimme'
'Foro, Sabine'
'Fuess, Hartmut'
_publ_section_title
;
 N-Benzoyl-4-chlorobenzenesulfonamide
;
_journal_coeditor_code           FK2014
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o766
_journal_paper_doi               10.1107/S160053681000783X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C13 H10 Cl N O3 S'
_chemical_formula_moiety         'C13 H10 Cl N O3 S'
_chemical_formula_sum            'C13 H10 Cl N O3 S'
_chemical_formula_weight         295.73
_chemical_name_systematic
;
N-Benzoyl-4-chlorobenzenesulfonamide
;
_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                91.150(10)
_cell_angle_beta                 93.530(10)
_cell_angle_gamma                107.40(2)
_cell_formula_units_Z            4
_cell_length_a                   9.1380(10)
_cell_length_b                   12.026(2)
_cell_length_c                   12.512(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299(2)
_cell_measurement_theta_max      20.67
_cell_measurement_theta_min      6.27
_cell_volume                     1308.5(4)
_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, 2009)'
_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 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0460
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9165
_diffrn_reflns_theta_full        66.95
_diffrn_reflns_theta_max         66.95
_diffrn_reflns_theta_min         3.54
_diffrn_standards_decay_%        2.0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.118
_exptl_absorpt_correction_T_max  0.2897
_exptl_absorpt_correction_T_min  0.2326
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'North et al.,  1968'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             608
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.336
_refine_ls_extinction_coef       0.0104(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     350
_refine_ls_number_reflns         4655
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0437
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0517P)²+0.5150P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1190
_refine_ls_wR_factor_ref         0.1251
_reflns_number_gt                3966
_reflns_number_total             4655
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fk2014.cif
_cod_data_source_block           I
_cod_original_cell_volume        1308.5(3)
_cod_database_code               2225533
_cod_database_fobs_code          2225533
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 0.13114(11) 0.65487(7) 0.19920(7) 0.0951(3) Uani d . 1 . .
S S1 0.12434(7) 0.19435(5) -0.03688(6) 0.0571(2) Uani d . 1 . .
O O1 -0.02885(19) 0.11806(14) -0.03785(19) 0.0766(6) Uani d . 1 . .
O O2 0.1928(2) 0.22241(16) -0.13596(16) 0.0727(5) Uani d . 1 . .
O O3 0.45459(19) 0.26268(14) 0.02647(17) 0.0689(5) Uani d . 1 . .
N N1 0.2241(2) 0.12840(16) 0.03850(19) 0.0566(5) Uani d D 1 . .
H H1N 0.172(3) 0.0617(17) 0.054(2) 0.068 Uiso d D 1 . .
C C1 0.1337(2) 0.32370(18) 0.0343(2) 0.0515(5) Uani d . 1 . .
C C2 0.0252(3) 0.3229(2) 0.1058(2) 0.0633(7) Uani d . 1 . .
H H2 -0.0481 0.2532 0.1196 0.076 Uiso calc R 1 . .
C C3 0.0251(3) 0.4250(2) 0.1567(2) 0.0696(7) Uani d . 1 . .
H H3 -0.0484 0.4255 0.2047 0.084 Uiso calc R 1 . .
C C4 0.1352(3) 0.5262(2) 0.1355(2) 0.0625(6) Uani d . 1 . .
C C5 0.2456(3) 0.5282(2) 0.0662(2) 0.0629(7) Uani d . 1 . .
H H5 0.3200 0.5980 0.0543 0.075 Uiso calc R 1 . .
C C6 0.2461(3) 0.42605(19) 0.0140(2) 0.0574(6) Uani d . 1 . .
H H6 0.3202 0.4259 -0.0337 0.069 Uiso calc R 1 . .
C C7 0.3829(2) 0.16862(19) 0.0569(2) 0.0520(5) Uani d . 1 . .
C C8 0.4541(2) 0.09067(19) 0.11647(19) 0.0491(5) Uani d . 1 . .
C C9 0.6099(3) 0.1097(2) 0.1104(2) 0.0653(7) Uani d . 1 . .
H H9 0.6662 0.1704 0.0708 0.078 Uiso calc R 1 . .
C C10 0.6821(3) 0.0392(3) 0.1626(3) 0.0761(8) Uani d . 1 . .
H H10 0.7867 0.0516 0.1570 0.091 Uiso calc R 1 . .
C C11 0.6022(3) -0.0483(2) 0.2222(3) 0.0710(7) Uani d . 1 . .
H H11 0.6523 -0.0952 0.2577 0.085 Uiso calc R 1 . .
C C12 0.4478(3) -0.0677(3) 0.2304(3) 0.0768(8) Uani d . 1 . .
H H12 0.3932 -0.1272 0.2719 0.092 Uiso calc R 1 . .
C C13 0.3737(3) 0.0014(2) 0.1767(2) 0.0667(7) Uani d . 1 . .
H H13 0.2685 -0.0125 0.1813 0.080 Uiso calc R 1 . .
Cl Cl2 0.09586(10) 1.12238(7) 0.31722(8) 0.0928(3) Uani d . 1 . .
S S2 0.15335(8) 0.68980(5) 0.55894(6) 0.0660(2) Uani d . 1 . .
O O4 0.0012(2) 0.61359(16) 0.5643(2) 0.0871(7) Uani d . 1 . .
O O5 0.2464(3) 0.72946(19) 0.65492(17) 0.0895(7) Uani d . 1 . .
O O6 0.4541(2) 0.75873(16) 0.47147(19) 0.0794(6) Uani d . 1 . .
N N2 0.2341(3) 0.61526(18) 0.48162(19) 0.0623(5) Uani d D 1 . .
H H2N 0.171(3) 0.5535(19) 0.456(2) 0.075 Uiso d D 1 . .
C C14 0.1436(3) 0.81131(19) 0.4870(2) 0.0544(6) Uani d . 1 . .
C C15 0.0225(3) 0.7997(2) 0.4114(2) 0.0640(7) Uani d . 1 . .
H H15 -0.0496 0.7272 0.3963 0.077 Uiso calc R 1 . .
C C16 0.0090(3) 0.8952(2) 0.3589(2) 0.0675(7) Uani d . 1 . .
H H16 -0.0714 0.8881 0.3073 0.081 Uiso calc R 1 . .
C C17 0.1157(3) 1.0018(2) 0.3832(2) 0.0605(6) Uani d . 1 . .
C C18 0.2376(3) 1.0149(2) 0.4571(2) 0.0645(7) Uani d . 1 . .
H H18 0.3097 1.0876 0.4713 0.077 Uiso calc R 1 . .
C C19 0.2515(3) 0.9182(2) 0.5102(2) 0.0602(6) Uani d . 1 . .
H H19 0.3328 0.9253 0.5610 0.072 Uiso calc R 1 . .
C C20 0.3804(3) 0.6593(2) 0.4480(2) 0.0595(6) Uani d . 1 . .
C C21 0.4389(3) 0.5793(2) 0.3827(2) 0.0550(6) Uani d . 1 . .
C C22 0.3646(3) 0.4623(2) 0.3640(3) 0.0712(7) Uani d . 1 . .
H H22 0.2712 0.4285 0.3932 0.085 Uiso calc R 1 . .
C C23 0.4278(4) 0.3951(3) 0.3022(3) 0.0816(9) Uani d . 1 . .
H H23 0.3760 0.3163 0.2896 0.098 Uiso calc R 1 . .
C C24 0.5657(3) 0.4427(3) 0.2590(3) 0.0744(8) Uani d . 1 . .
H H24 0.6075 0.3966 0.2173 0.089 Uiso calc R 1 . .
C C25 0.6410(4) 0.5582(3) 0.2777(3) 0.0829(9) Uani d . 1 . .
H H25 0.7353 0.5911 0.2493 0.100 Uiso calc R 1 . .
C C26 0.5780(3) 0.6261(2) 0.3385(3) 0.0782(8) Uani d . 1 . .
H H26 0.6299 0.7051 0.3502 0.094 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
O2 S1 O1 . . 119.10(13) ?
O2 S1 N1 . . 110.02(12) ?
O1 S1 N1 . . 103.39(10) ?
O2 S1 C1 . . 109.16(11) ?
O1 S1 C1 . . 108.42(12) ?
N1 S1 C1 . . 105.90(11) ?
C7 N1 S1 . . 123.68(17) ?
C7 N1 H1N . . 122.9(19) ?
S1 N1 H1N . . 112.3(19) ?
C2 C1 C6 . . 121.1(2) ?
C2 C1 S1 . . 119.31(18) ?
C6 C1 S1 . . 119.5(2) ?
C3 C2 C1 . . 119.9(2) ?
C3 C2 H2 . . 120.1 ?
C1 C2 H2 . . 120.1 ?
C4 C3 C2 . . 118.9(3) ?
C4 C3 H3 . . 120.6 ?
C2 C3 H3 . . 120.6 ?
C5 C4 C3 . . 122.0(3) ?
C5 C4 Cl1 . . 119.9(2) ?
C3 C4 Cl1 . . 118.1(2) ?
C4 C5 C6 . . 119.6(2) ?
C4 C5 H5 . . 120.2 ?
C6 C5 H5 . . 120.2 ?
C5 C6 C1 . . 118.5(2) ?
C5 C6 H6 . . 120.7 ?
C1 C6 H6 . . 120.7 ?
O3 C7 N1 . . 120.4(2) ?
O3 C7 C8 . . 123.8(2) ?
N1 C7 C8 . . 115.85(19) ?
C13 C8 C9 . . 118.9(2) ?
C13 C8 C7 . . 123.6(2) ?
C9 C8 C7 . . 117.5(2) ?
C10 C9 C8 . . 120.2(3) ?
C10 C9 H9 . . 119.9 ?
C8 C9 H9 . . 119.9 ?
C11 C10 C9 . . 120.6(2) ?
C11 C10 H10 . . 119.7 ?
C9 C10 H10 . . 119.7 ?
C10 C11 C12 . . 120.1(3) ?
C10 C11 H11 . . 119.9 ?
C12 C11 H11 . . 119.9 ?
C11 C12 C13 . . 119.8(3) ?
C11 C12 H12 . . 120.1 ?
C13 C12 H12 . . 120.1 ?
C8 C13 C12 . . 120.4(2) ?
C8 C13 H13 . . 119.8 ?
C12 C13 H13 . . 119.8 ?
O5 S2 O4 . . 119.32(15) ?
O5 S2 N2 . . 110.30(14) ?
O4 S2 N2 . . 103.33(12) ?
O5 S2 C14 . . 108.61(12) ?
O4 S2 C14 . . 108.37(13) ?
N2 S2 C14 . . 106.11(12) ?
C20 N2 S2 . . 123.63(18) ?
C20 N2 H2N . . 123(2) ?
S2 N2 H2N . . 112(2) ?
C19 C14 C15 . . 120.8(2) ?
C19 C14 S2 . . 119.9(2) ?
C15 C14 S2 . . 119.27(18) ?
C16 C15 C14 . . 119.8(2) ?
C16 C15 H15 . . 120.1 ?
C14 C15 H15 . . 120.1 ?
C15 C16 C17 . . 119.2(2) ?
C15 C16 H16 . . 120.4 ?
C17 C16 H16 . . 120.4 ?
C18 C17 C16 . . 121.9(2) ?
C18 C17 Cl2 . . 119.4(2) ?
C16 C17 Cl2 . . 118.7(2) ?
C17 C18 C19 . . 118.9(2) ?
C17 C18 H18 . . 120.5 ?
C19 C18 H18 . . 120.5 ?
C14 C19 C18 . . 119.3(2) ?
C14 C19 H19 . . 120.3 ?
C18 C19 H19 . . 120.3 ?
O6 C20 N2 . . 119.9(3) ?
O6 C20 C21 . . 123.1(2) ?
N2 C20 C21 . . 117.0(2) ?
C22 C21 C26 . . 118.1(3) ?
C22 C21 C20 . . 124.5(2) ?
C26 C21 C20 . . 117.4(2) ?
C21 C22 C23 . . 120.3(3) ?
C21 C22 H22 . . 119.8 ?
C23 C22 H22 . . 119.8 ?
C24 C23 C22 . . 120.9(3) ?
C24 C23 H23 . . 119.5 ?
C22 C23 H23 . . 119.5 ?
C25 C24 C23 . . 119.3(3) ?
C25 C24 H24 . . 120.4 ?
C23 C24 H24 . . 120.4 ?
C24 C25 C26 . . 120.1(3) ?
C24 C25 H25 . . 119.9 ?
C26 C25 H25 . . 119.9 ?
C25 C26 C21 . . 121.2(3) ?
C25 C26 H26 . . 119.4 ?
C21 C26 H26 . . 119.4 ?
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 . 1.737(3) ?
S1 O2 . 1.424(2) ?
S1 O1 . 1.4251(18) ?
S1 N1 . 1.645(2) ?
S1 C1 . 1.753(2) ?
O3 C7 . 1.208(3) ?
N1 C7 . 1.388(3) ?
N1 H1N . 0.836(17) ?
C1 C2 . 1.374(4) ?
C1 C6 . 1.387(3) ?
C2 C3 . 1.373(4) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.370(4) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.365(4) ?
C5 C6 . 1.382(3) ?
C5 H5 . 0.9300 ?
C6 H6 . 0.9300 ?
C7 C8 . 1.480(3) ?
C8 C13 . 1.375(3) ?
C8 C9 . 1.380(3) ?
C9 C10 . 1.372(4) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.355(4) ?
C10 H10 . 0.9300 ?
C11 C12 . 1.370(4) ?
C11 H11 . 0.9300 ?
C12 C13 . 1.379(4) ?
C12 H12 . 0.9300 ?
C13 H13 . 0.9300 ?
Cl2 C17 . 1.734(3) ?
S2 O5 . 1.415(2) ?
S2 O4 . 1.425(2) ?
S2 N2 . 1.653(2) ?
S2 C14 . 1.753(3) ?
O6 C20 . 1.204(3) ?
N2 C20 . 1.378(3) ?
N2 H2N . 0.834(17) ?
C14 C19 . 1.379(3) ?
C14 C15 . 1.383(4) ?
C15 C16 . 1.368(4) ?
C15 H15 . 0.9300 ?
C16 C17 . 1.373(4) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.372(4) ?
C18 C19 . 1.386(4) ?
C18 H18 . 0.9300 ?
C19 H19 . 0.9300 ?
C20 C21 . 1.486(4) ?
C21 C22 . 1.375(4) ?
C21 C26 . 1.381(4) ?
C22 C23 . 1.376(4) ?
C22 H22 . 0.9300 ?
C23 C24 . 1.368(4) ?
C23 H23 . 0.9300 ?
C24 C25 . 1.361(4) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.375(4) ?
C25 H25 . 0.9300 ?
C26 H26 . 0.9300 ?
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 O1 2 0.836(17) 2.164(19) 2.967(3) 161(3)
N2 H2N O4 2_566 0.834(17) 2.150(19) 2.962(3) 164(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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
O2 S1 N1 C7 . . . . 47.9(2) ?
O1 S1 N1 C7 . . . . 176.1(2) ?
C1 S1 N1 C7 . . . . -70.0(2) ?
O2 S1 C1 C2 . . . . 152.8(2) ?
O1 S1 C1 C2 . . . . 21.6(2) ?
N1 S1 C1 C2 . . . . -88.8(2) ?
O2 S1 C1 C6 . . . . -24.3(2) ?
O1 S1 C1 C6 . . . . -155.5(2) ?
N1 S1 C1 C6 . . . . 94.1(2) ?
C6 C1 C2 C3 . . . . 1.4(4) ?
S1 C1 C2 C3 . . . . -175.7(2) ?
C1 C2 C3 C4 . . . . -0.6(4) ?
C2 C3 C4 C5 . . . . -0.6(4) ?
C2 C3 C4 Cl1 . . . . 179.0(2) ?
C3 C4 C5 C6 . . . . 1.1(4) ?
Cl1 C4 C5 C6 . . . . -178.5(2) ?
C4 C5 C6 C1 . . . . -0.3(4) ?
C2 C1 C6 C5 . . . . -0.9(4) ?
S1 C1 C6 C5 . . . . 176.14(19) ?
S1 N1 C7 O3 . . . . 7.9(4) ?
S1 N1 C7 C8 . . . . -173.19(17) ?
O3 C7 C8 C13 . . . . 160.9(3) ?
N1 C7 C8 C13 . . . . -18.0(4) ?
O3 C7 C8 C9 . . . . -19.1(4) ?
N1 C7 C8 C9 . . . . 162.0(2) ?
C13 C8 C9 C10 . . . . 0.9(4) ?
C7 C8 C9 C10 . . . . -179.0(3) ?
C8 C9 C10 C11 . . . . -1.3(5) ?
C9 C10 C11 C12 . . . . 0.5(5) ?
C10 C11 C12 C13 . . . . 0.7(5) ?
C9 C8 C13 C12 . . . . 0.2(4) ?
C7 C8 C13 C12 . . . . -179.8(3) ?
C11 C12 C13 C8 . . . . -1.0(5) ?
O5 S2 N2 C20 . . . . -56.1(3) ?
O4 S2 N2 C20 . . . . 175.3(2) ?
C14 S2 N2 C20 . . . . 61.3(2) ?
O5 S2 C14 C19 . . . . 18.5(3) ?
O4 S2 C14 C19 . . . . 149.5(2) ?
N2 S2 C14 C19 . . . . -100.1(2) ?
O5 S2 C14 C15 . . . . -158.2(2) ?
O4 S2 C14 C15 . . . . -27.2(2) ?
N2 S2 C14 C15 . . . . 83.3(2) ?
C19 C14 C15 C16 . . . . -0.1(4) ?
S2 C14 C15 C16 . . . . 176.5(2) ?
C14 C15 C16 C17 . . . . -0.7(4) ?
C15 C16 C17 C18 . . . . 1.5(4) ?
C15 C16 C17 Cl2 . . . . -179.2(2) ?
C16 C17 C18 C19 . . . . -1.3(4) ?
Cl2 C17 C18 C19 . . . . 179.3(2) ?
C15 C14 C19 C18 . . . . 0.2(4) ?
S2 C14 C19 C18 . . . . -176.4(2) ?
C17 C18 C19 C14 . . . . 0.5(4) ?
S2 N2 C20 O6 . . . . -3.1(4) ?
S2 N2 C20 C21 . . . . 177.37(18) ?
O6 C20 C21 C22 . . . . 172.9(3) ?
N2 C20 C21 C22 . . . . -7.6(4) ?
O6 C20 C21 C26 . . . . -6.7(4) ?
N2 C20 C21 C26 . . . . 172.9(2) ?
C26 C21 C22 C23 . . . . -0.5(4) ?
C20 C21 C22 C23 . . . . 179.9(3) ?
C21 C22 C23 C24 . . . . 0.6(5) ?
C22 C23 C24 C25 . . . . 0.0(5) ?
C23 C24 C25 C26 . . . . -0.6(5) ?
C24 C25 C26 C21 . . . . 0.7(5) ?
C22 C21 C26 C25 . . . . -0.1(5) ?
C20 C21 C26 C25 . . . . 179.5(3) ?
