##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
#                                                                            #
##############################################################################
                                             
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
[3-Amino-5-(3,5-dimethylanilino)-4-phenylsulfonyl-2-thienyl]phenylmethanone
;
_chemical_name_common     ?
_chemical_formula_moiety     'C25 H22 N2 O3 S2'
_chemical_formula_sum     'C25 H22 N2 O3 S2'
_chemical_formula_iupac     'C25 H22 N2 O3 S2'
_chemical_formula_weight     462.57
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     10.497(3)
_cell_length_b     11.451(3)
_cell_length_c     11.863(3)
_cell_angle_alpha     65.65(2)
_cell_angle_beta     69.654(19)
_cell_angle_gamma     70.18(2)
_cell_volume     1185.6(6)
_cell_formula_units_Z     2
_cell_measurement_reflns_used     36
_cell_measurement_theta_min     8
_cell_measurement_theta_max     22
_cell_measurement_temperature     293(2)
_exptl_crystal_description     block
_exptl_crystal_colour     colourless
_exptl_crystal_size_max     0.40
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.20
_exptl_crystal_density_diffrn     1.296
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     484
_exptl_absorpt_coefficient_mu     0.253
_exptl_absorpt_correction_type     none
_exptl_absorpt_process_details     ?
_exptl_absorpt_correction_T_min     ?
_exptl_absorpt_correction_T_max     ?
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     293(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Siemens P3/PC'
_diffrn_measurement_method     'θ-2θ scans'
_diffrn_detector_area_resol_mean     16.1827
_diffrn_reflns_number     4246
_diffrn_reflns_av_R_equivalents     0.0479
_diffrn_reflns_av_sigmaI/netI     0.0358
_diffrn_reflns_theta_min     2.01
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.969
_diffrn_measured_fraction_theta_full     0.969
_diffrn_reflns_limit_h_min     -11
_diffrn_reflns_limit_h_max     12
_diffrn_reflns_limit_k_min     -12
_diffrn_reflns_limit_k_max     13
_diffrn_reflns_limit_l_min     -13
_diffrn_reflns_limit_l_max     14
_diffrn_standards_number     2
_diffrn_standards_interval_count     98
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     4042
_reflns_number_gt     3150
_reflns_threshold_expression     'I>2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0618
_refine_ls_R_factor_gt     0.0426
_refine_ls_wR_factor_gt     0.1017
_refine_ls_wR_factor_ref     0.1084
_refine_ls_goodness_of_fit_ref     1.019
_refine_ls_restrained_S_all     1.019
_refine_ls_number_reflns     4042
_refine_ls_number_parameters     322
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0604P)²+0.2736P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.245
_refine_diff_density_min     -0.306
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'O' 'O' 0.0106 0.0060
                         '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'
_computing_data_collection     'P3 (Siemens,1989)'
_computing_cell_refinement     'P3'
_computing_data_reduction     'XDISK (Siemens, 1991)'
_computing_structure_solution     'SHELXTL (Sheldrick, 1998)'
_computing_structure_refinement     'SHELXTL'
_computing_molecular_graphics     'SHELXTL'
_computing_publication_material     'SHELXTL'
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
    S S1 0.47589(6) 0.72106(6) 0.46973(5) 0.04259(18) Uani d . 1 . .
    S S2 0.30992(6) 0.69038(6) 0.85957(5) 0.03452(16) Uani d . 1 . .
    N N1 0.6086(3) 0.5073(2) 0.7787(2) 0.0498(6) Uani d . 1 . .
    H H1NA 0.681(3) 0.473(3) 0.750(3) 0.046(8) Uiso d . 1 . .
    H H1NB 0.575(3) 0.501(3) 0.866(3) 0.070(9) Uiso d . 1 . .
    N N2 0.2320(2) 0.8339(2) 0.5927(2) 0.0473(6) Uani d . 1 . .
    H H2NA 0.177(3) 0.849(3) 0.653(3) 0.047(8) Uiso d . 1 . .
    O O1 0.16388(16) 0.73500(19) 0.86151(15) 0.0497(5) Uani d . 1 . .
    O O2 0.35524(18) 0.57316(16) 0.95816(14) 0.0443(4) Uani d . 1 . .
    O O3 0.81054(17) 0.46304(18) 0.57554(16) 0.0525(5) Uani d . 1 . .
    C C1 0.5382(2) 0.5893(2) 0.6897(2) 0.0329(5) Uani d . 1 . .
    C C2 0.4011(2) 0.6711(2) 0.71376(19) 0.0332(5) Uani d . 1 . .
    C C3 0.3543(2) 0.7472(2) 0.6033(2) 0.0350(5) Uani d . 1 . .
    C C4 0.5941(2) 0.6049(2) 0.5602(2) 0.0355(5) Uani d . 1 . .
    C C5 0.7306(2) 0.5429(2) 0.5067(2) 0.0365(5) Uani d . 1 . .
    C C6 0.7839(2) 0.5752(2) 0.3652(2) 0.0347(5) Uani d . 1 . .
    C C7 0.7075(3) 0.5789(2) 0.2888(2) 0.0420(6) Uani d . 1 . .
    H H7 0.6175 0.5651 0.3244 0.052(8) Uiso calc R 1 . .
    C C8 0.7649(3) 0.6031(3) 0.1598(2) 0.0517(7) Uani d . 1 . .
    H H8 0.7140 0.6038 0.1091 0.051(7) Uiso calc R 1 . .
    C C9 0.8971(3) 0.6262(3) 0.1057(3) 0.0547(7) Uani d . 1 . .
    H H9 0.9347 0.6440 0.0184 0.067(9) Uiso calc R 1 . .
    C C10 0.9727(3) 0.6230(3) 0.1805(3) 0.0551(7) Uani d . 1 . .
    H H10 1.0619 0.6388 0.1439 0.056(8) Uiso calc R 1 . .
    C C11 0.9177(3) 0.5966(2) 0.3100(2) 0.0466(6) Uani d . 1 . .
    H H11 0.9706 0.5931 0.3605 0.064(9) Uiso calc R 1 . .
    C C12 0.1956(2) 0.9153(2) 0.4746(2) 0.0398(6) Uani d . 1 . .
    C C13 0.1705(3) 1.0494(3) 0.4418(3) 0.0490(6) Uani d . 1 . .
    H H13 0.1802 1.0854 0.4950 0.057(8) Uiso calc R 1 . .
    C C14 0.1303(3) 1.1318(3) 0.3284(3) 0.0559(7) Uani d . 1 . .
    C C15 0.1194(3) 1.0741(3) 0.2517(2) 0.0522(7) Uani d . 1 . .
    H H15 0.0926 1.1281 0.1762 0.090(11) Uiso calc R 1 . .
    C C16 0.1467(3) 0.9397(3) 0.2822(2) 0.0484(6) Uani d . 1 . .
    C C17 0.1831(3) 0.8601(3) 0.3971(2) 0.0447(6) Uani d . 1 . .
    H H17 0.1989 0.7691 0.4215 0.056(8) Uiso calc R 1 . .
    C C18 0.1001(5) 1.2791(3) 0.2929(4) 0.0915(12) Uani d . 1 . .
    H H18B 0.0676 1.3021 0.3690 0.17(2) Uiso calc R 1 . .
    H H18A 0.0297 1.3198 0.2454 0.132(17) Uiso calc R 1 . .
    H H18C 0.1838 1.3093 0.2418 0.17(2) Uiso calc R 1 . .
    C C19 0.1363(5) 0.8786(4) 0.1955(4) 0.0811(11) Uani d . 1 . .
    H H19A 0.0981 0.9464 0.1269 0.16(2) Uiso calc R 1 . .
    H H19C 0.0765 0.8178 0.2432 0.19(3) Uiso calc R 1 . .
    H H19B 0.2275 0.8326 0.1615 0.144(19) Uiso calc R 1 . .
    C C20 0.3623(3) 0.8199(2) 0.8620(2) 0.0411(6) Uani d . 1 . .
    C C21 0.2846(4) 0.9460(3) 0.8255(3) 0.0666(9) Uani d . 1 . .
    H H21 0.2015 0.9635 0.8038 0.086(11) Uiso calc R 1 . .
    C C22 0.3316(6) 1.0473(4) 0.8215(4) 0.0931(13) Uani d . 1 . .
    H H22 0.2794 1.1334 0.7972 0.125(16) Uiso calc R 1 . .
    C C23 0.4522(6) 1.0221(4) 0.8525(4) 0.0916(13) Uani d . 1 . .
    H H23 0.4838 1.0912 0.8473 0.116(14) Uiso calc R 1 . .
    C C24 0.5291(4) 0.8953(4) 0.8917(4) 0.0811(10) Uani d . 1 . .
    H H24 0.6113 0.8788 0.9146 0.103(13) Uiso calc R 1 . .
    C C25 0.4848(3) 0.7929(3) 0.8970(3) 0.0599(8) Uani d . 1 . .
    H H25 0.5362 0.7068 0.9237 0.071(10) Uiso calc R 1 . .
_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_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    S1 C3 . 1.719(2) y
    S1 C4 . 1.758(2) y
    S2 O2 . 1.4337(17) y
    S2 O1 . 1.4372(17) y
    S2 C2 . 1.726(2) y
    S2 C20 . 1.761(3) y
    N1 C1 . 1.340(3) ?
    N1 H1NA . 0.76(3) ?
    N1 H1NB . 0.95(3) ?
    N2 C3 . 1.340(3) ?
    N2 C12 . 1.425(3) ?
    N2 H2NA . 0.78(3) ?
    O3 C5 . 1.244(3) ?
    C1 C4 . 1.398(3) ?
    C1 C2 . 1.432(3) ?
    C2 C3 . 1.391(3) ?
    C4 C5 . 1.418(3) ?
    C5 C6 . 1.497(3) ?
    C6 C7 . 1.385(3) ?
    C6 C11 . 1.386(3) ?
    C7 C8 . 1.380(3) ?
    C7 H7 . 0.9300 ?
    C8 C9 . 1.378(4) ?
    C8 H8 . 0.9300 ?
    C9 C10 . 1.365(4) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.380(4) ?
    C10 H10 . 0.9300 ?
    C11 H11 . 0.9300 ?
    C12 C17 . 1.371(3) ?
    C12 C13 . 1.372(4) ?
    C13 C14 . 1.399(4) ?
    C13 H13 . 0.9300 ?
    C14 C15 . 1.377(4) ?
    C14 C18 . 1.506(4) ?
    C15 C16 . 1.376(4) ?
    C15 H15 . 0.9300 ?
    C16 C17 . 1.391(3) ?
    C16 C19 . 1.511(4) ?
    C17 H17 . 0.9300 ?
    C18 H18B . 0.9600 ?
    C18 H18A . 0.9600 ?
    C18 H18C . 0.9600 ?
    C19 H19A . 0.9600 ?
    C19 H19C . 0.9600 ?
    C19 H19B . 0.9600 ?
    C20 C21 . 1.367(4) ?
    C20 C25 . 1.385(4) ?
    C21 C22 . 1.384(5) ?
    C21 H21 . 0.9300 ?
    C22 C23 . 1.345(6) ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.373(6) ?
    C23 H23 . 0.9300 ?
    C24 C25 . 1.372(4) ?
    C24 H24 . 0.9300 ?
    C25 H25 . 0.9300 ?
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
    C3 S1 C4 . . 92.08(11) ?
    O2 S2 O1 . . 118.85(11) ?
    O2 S2 C2 . . 108.58(11) ?
    O1 S2 C2 . . 108.25(10) ?
    O2 S2 C20 . . 107.97(11) ?
    O1 S2 C20 . . 107.25(12) ?
    C2 S2 C20 . . 105.11(11) ?
    C1 N1 H1NA . . 112(2) ?
    C1 N1 H1NB . . 123.6(19) ?
    H1NA N1 H1NB . . 124(3) ?
    C3 N2 C12 . . 124.4(2) ?
    C3 N2 H2NA . . 121(2) ?
    C12 N2 H2NA . . 114(2) ?
    N1 C1 C4 . . 122.4(2) ?
    N1 C1 C2 . . 125.2(2) ?
    C4 C1 C2 . . 112.35(18) ?
    C3 C2 C1 . . 112.82(19) ?
    C3 C2 S2 . . 122.23(17) ?
    C1 C2 S2 . . 124.52(16) ?
    N2 C3 C2 . . 127.8(2) ?
    N2 C3 S1 . . 120.20(17) ?
    C2 C3 S1 . . 112.01(16) ?
    C1 C4 C5 . . 125.2(2) ?
    C1 C4 S1 . . 110.74(16) ?
    C5 C4 S1 . . 123.93(17) ?
    O3 C5 C4 . . 121.0(2) ?
    O3 C5 C6 . . 118.2(2) ?
    C4 C5 C6 . . 120.7(2) ?
    C7 C6 C11 . . 119.0(2) ?
    C7 C6 C5 . . 122.7(2) ?
    C11 C6 C5 . . 118.2(2) ?
    C8 C7 C6 . . 120.0(2) ?
    C8 C7 H7 . . 120.0 ?
    C6 C7 H7 . . 120.0 ?
    C9 C8 C7 . . 120.4(2) ?
    C9 C8 H8 . . 119.8 ?
    C7 C8 H8 . . 119.8 ?
    C10 C9 C8 . . 119.8(2) ?
    C10 C9 H9 . . 120.1 ?
    C8 C9 H9 . . 120.1 ?
    C9 C10 C11 . . 120.4(3) ?
    C9 C10 H10 . . 119.8 ?
    C11 C10 H10 . . 119.8 ?
    C10 C11 C6 . . 120.3(2) ?
    C10 C11 H11 . . 119.9 ?
    C6 C11 H11 . . 119.9 ?
    C17 C12 C13 . . 121.0(2) ?
    C17 C12 N2 . . 120.3(2) ?
    C13 C12 N2 . . 118.6(2) ?
    C12 C13 C14 . . 119.8(3) ?
    C12 C13 H13 . . 120.1 ?
    C14 C13 H13 . . 120.1 ?
    C15 C14 C13 . . 118.1(3) ?
    C15 C14 C18 . . 121.7(3) ?
    C13 C14 C18 . . 120.2(3) ?
    C16 C15 C14 . . 122.7(2) ?
    C16 C15 H15 . . 118.6 ?
    C14 C15 H15 . . 118.6 ?
    C15 C16 C17 . . 118.0(2) ?
    C15 C16 C19 . . 121.8(3) ?
    C17 C16 C19 . . 120.2(3) ?
    C12 C17 C16 . . 120.3(2) ?
    C12 C17 H17 . . 119.9 ?
    C16 C17 H17 . . 119.9 ?
    C14 C18 H18B . . 109.5 ?
    C14 C18 H18A . . 109.5 ?
    H18B C18 H18A . . 109.5 ?
    C14 C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    C16 C19 H19A . . 109.5 ?
    C16 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    C16 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    H19C C19 H19B . . 109.5 ?
    C21 C20 C25 . . 120.7(3) ?
    C21 C20 S2 . . 120.0(2) ?
    C25 C20 S2 . . 119.3(2) ?
    C20 C21 C22 . . 119.1(3) ?
    C20 C21 H21 . . 120.5 ?
    C22 C21 H21 . . 120.5 ?
    C23 C22 C21 . . 120.5(4) ?
    C23 C22 H22 . . 119.8 ?
    C21 C22 H22 . . 119.8 ?
    C22 C23 C24 . . 120.7(4) ?
    C22 C23 H23 . . 119.7 ?
    C24 C23 H23 . . 119.7 ?
    C25 C24 C23 . . 120.1(4) ?
    C25 C24 H24 . . 120.0 ?
    C23 C24 H24 . . 120.0 ?
    C24 C25 C20 . . 118.9(3) ?
    C24 C25 H25 . . 120.5 ?
    C20 C25 H25 . . 120.5 ?
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
    N1 C1 C2 C3 . . . . 179.4(2) ?
    C4 C1 C2 C3 . . . . 0.2(3) ?
    N1 C1 C2 S2 . . . . 6.8(4) ?
    C4 C1 C2 S2 . . . . -172.34(17) ?
    O2 S2 C2 C3 . . . . 160.23(19) ?
    O1 S2 C2 C3 . . . . 29.9(2) ?
    C20 S2 C2 C3 . . . . -84.4(2) ?
    O2 S2 C2 C1 . . . . -27.9(2) ?
    O1 S2 C2 C1 . . . . -158.18(19) ?
    C20 S2 C2 C1 . . . . 87.5(2) ?
    C12 N2 C3 C2 . . . . 175.3(2) ?
    C12 N2 C3 S1 . . . . -3.9(4) ?
    C1 C2 C3 N2 . . . . -179.6(2) ?
    S2 C2 C3 N2 . . . . -6.9(4) ?
    C1 C2 C3 S1 . . . . -0.3(3) ?
    S2 C2 C3 S1 . . . . 172.41(13) ?
    C4 S1 C3 N2 . . . . 179.6(2) ?
    C4 S1 C3 C2 . . . . 0.29(19) ?
    N1 C1 C4 C5 . . . . -3.0(4) ?
    C2 C1 C4 C5 . . . . 176.2(2) ?
    N1 C1 C4 S1 . . . . -179.2(2) ?
    C2 C1 C4 S1 . . . . 0.0(3) ?
    C3 S1 C4 C1 . . . . -0.16(19) ?
    C3 S1 C4 C5 . . . . -176.4(2) ?
    C1 C4 C5 O3 . . . . 3.1(4) ?
    S1 C4 C5 O3 . . . . 178.77(19) ?
    C1 C4 C5 C6 . . . . -175.0(2) ?
    S1 C4 C5 C6 . . . . 0.7(3) ?
    O3 C5 C6 C7 . . . . 134.0(2) ?
    C4 C5 C6 C7 . . . . -47.9(3) ?
    O3 C5 C6 C11 . . . . -43.2(3) ?
    C4 C5 C6 C11 . . . . 134.9(2) ?
    C11 C6 C7 C8 . . . . 0.3(4) ?
    C5 C6 C7 C8 . . . . -176.9(2) ?
    C6 C7 C8 C9 . . . . -1.3(4) ?
    C7 C8 C9 C10 . . . . 1.1(4) ?
    C8 C9 C10 C11 . . . . 0.1(4) ?
    C9 C10 C11 C6 . . . . -1.1(4) ?
    C7 C6 C11 C10 . . . . 0.9(4) ?
    C5 C6 C11 C10 . . . . 178.2(2) ?
    C3 N2 C12 C17 . . . . 64.5(4) ?
    C3 N2 C12 C13 . . . . -116.9(3) ?
    C17 C12 C13 C14 . . . . 0.6(4) ?
    N2 C12 C13 C14 . . . . -178.0(2) ?
    C12 C13 C14 C15 . . . . -1.0(4) ?
    C12 C13 C14 C18 . . . . 178.9(3) ?
    C13 C14 C15 C16 . . . . -0.1(4) ?
    C18 C14 C15 C16 . . . . 179.9(3) ?
    C14 C15 C16 C17 . . . . 1.7(4) ?
    C14 C15 C16 C19 . . . . -179.0(3) ?
    C13 C12 C17 C16 . . . . 1.1(4) ?
    N2 C12 C17 C16 . . . . 179.6(2) ?
    C15 C16 C17 C12 . . . . -2.2(4) ?
    C19 C16 C17 C12 . . . . 178.6(3) ?
    O2 S2 C20 C21 . . . . -149.6(2) ?
    O1 S2 C20 C21 . . . . -20.4(2) ?
    C2 S2 C20 C21 . . . . 94.6(2) ?
    O2 S2 C20 C25 . . . . 32.5(2) ?
    O1 S2 C20 C25 . . . . 161.7(2) ?
    C2 S2 C20 C25 . . . . -83.3(2) ?
    C25 C20 C21 C22 . . . . 1.3(4) ?
    S2 C20 C21 C22 . . . . -176.5(3) ?
    C20 C21 C22 C23 . . . . 0.3(6) ?
    C21 C22 C23 C24 . . . . -1.6(6) ?
    C22 C23 C24 C25 . . . . 1.4(6) ?
    C23 C24 C25 C20 . . . . 0.2(5) ?
    C21 C20 C25 C24 . . . . -1.6(4) ?
    S2 C20 C25 C24 . . . . 176.3(2) ?
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 H1NA O3 . 0.76(3) 2.06(3) 2.699(3) 141(3)
    N1 H1NB O2 . 0.95(3) 2.22(3) 2.864(3) 124(2)
    N2 H2NA O1 . 0.78(3) 2.25(3) 2.820(3) 130(2)
    N1 H1NB O2 2_667 0.95(3) 2.19(3) 2.993(3) 142(3)
data_global
_journal_date_recd_electronic     2007-05-07
_journal_date_accepted     2007-05-14
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      6
_journal_page_first     o3011
_journal_page_last     o3011
_journal_paper_category     QO
_journal_coeditor_code     LH2388
_publ_contact_author_name     'Konovalova I.S.'
_publ_contact_author_address
; STC "Institute for Single Crystals"
 National Academy of Sciences of Ukraine
 60 Lenina ave.
 Kharkiv 61001
 Ukraine
;
_publ_contact_author_email     irinak@xray.isc.kharkov.com
_publ_contact_author_fax     '+(380) 57-3409343'
_publ_contact_author_phone     '+(380) 57-3410258'
_publ_section_title
;
[3-Amino-5-(3,5-dimethylanilino)-4-phenylsulfonyl-2-thienyl]phenylmethanone
;
loop_
    _publ_author_name
    _publ_author_address
    'Konovalova, Irina S.'
;    STC `Institute for Single Crystals'
     National Academy of Sciences of Ukraine
     60 Lenina ave.
     Kharkiv 61001
     Ukraine
;
    'Baumer, Vyacheslav N.'
;    STC `Institute for Single Crystals'
     National Academy of Sciences of Ukraine
     60 Lenina ave.
     Kharkiv 61001
     Ukraine
;
    'Shishkin, Oleg V.'
;    STC `Institute for Single Crystals'
     National Academy of Sciences of Ukraine
     60 Lenina ave.
     Kharkiv 61001
     Ukraine
;
    'Vlasenko, Yu. D.'
;    Department of Pharmaceutical Chemistry
     National University of Pharmacy
     4 Blyukhera ave.
     Kharkiv 61002
     Ukraine
;
    'Parkhomenko, O. O.'
;    Department of Pharmaceutical Chemistry
     National University of Pharmacy
 4 Blyukhera ave.
 Kharkiv 61002
 Ukraine
;
    'Kovalenko, S. M.'
;    Department of Pharmaceutical Chemistry
     National University of Pharmacy
 4 Blyukhera ave.
 Kharkiv 61002
 Ukraine
;
