##############################################################################
###                                                                        ###
###        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
;
6-ethyl-1-(p-flurophenyl)-5-benzene sulfonyloctahydro-cis-\
pyrrolo[3,4-b]pyrrole
;
_chemical_name_common     ?
_chemical_formula_moiety     'C20 H23 F N2 O2 S'
_chemical_formula_sum     'C20 H23 F N2 O2 S'
_chemical_formula_weight     374.46
_chemical_melting_point     ?
_symmetry_cell_setting     'Orthorhombic'
_symmetry_space_group_name_H-M     'P 21 21 21'
_symmetry_space_group_name_Hall     'P 2ac 2ab'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x+1/2, -y+1/2, -z'
_cell_length_a     7.8671(4)
_cell_length_b     13.6413(7)
_cell_length_c     17.4200(9)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1869.47(17)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2165
_cell_measurement_theta_min     1.9
_cell_measurement_theta_max     28.01
_cell_measurement_temperature     293(2)
_exptl_crystal_description     Block
_exptl_crystal_colour     'pale yellow'
_exptl_crystal_size_max     0.23
_exptl_crystal_size_mid     0.22
_exptl_crystal_size_min     0.21
_exptl_crystal_density_diffrn     1.330
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     792
_exptl_absorpt_coefficient_mu     0.199
_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     'Bruker SMART area-detector'
_diffrn_measurement_device     'Bruker SMART APEX CCD'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     16247
_diffrn_reflns_av_R_equivalents     0.0235
_diffrn_reflns_av_sigmaI/netI     0.0242
_diffrn_reflns_theta_min     1.90
_diffrn_reflns_theta_max     28.01
_diffrn_reflns_theta_full     28.01
_diffrn_measured_fraction_theta_max     0.990
_diffrn_measured_fraction_theta_full     0.990
_diffrn_reflns_limit_h_min     -10
_diffrn_reflns_limit_h_max     10
_diffrn_reflns_limit_k_min     -17
_diffrn_reflns_limit_k_max     17
_diffrn_reflns_limit_l_min     -22
_diffrn_reflns_limit_l_max     22
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_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     4395
_reflns_number_gt     3627
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0681
_refine_ls_R_factor_gt     0.0569
_refine_ls_wR_factor_gt     0.1406
_refine_ls_wR_factor_ref     0.1502
_refine_ls_goodness_of_fit_ref     1.048
_refine_ls_restrained_S_all     1.048
_refine_ls_number_reflns     4395
_refine_ls_number_parameters     235
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0952P)²+0.0921P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     <0.001
_refine_diff_density_max     0.379
_refine_diff_density_min     -0.217
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
_refine_ls_abs_structure_details     'Flack (1983); 1847 Friedel pairs'
_refine_ls_abs_structure_Flack     0.41(9)
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'
    'F' 'F' 0.0171 0.0103
                         '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     'SMART (Bruker, 2001)'
_computing_cell_refinement     'SAINT (Bruker, 2001)'
_computing_data_reduction     'SAINT'
_computing_structure_solution     'SHELXS97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 1997)'
_computing_molecular_graphics     'PLATON (Spek, 2003)'
_computing_publication_material     'SHELXL97 and PARST (Nardelli, 1995)'
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
    C C1 0.8434(3) 0.53785(17) 0.23846(16) 0.0548(6) Uani d . 1 . .
    C C2 0.9197(3) 0.4467(2) 0.2439(2) 0.0732(8) Uani d . 1 . .
    H H2 0.9493 0.4125 0.1997 0.088 Uiso calc R 1 . .
    C C3 0.9514(4) 0.4069(3) 0.3149(3) 0.0929(11) Uani d . 1 . .
    H H3 1.0022 0.3455 0.3189 0.111 Uiso calc R 1 . .
    C C4 0.9077(5) 0.4581(3) 0.3798(2) 0.1018(12) Uani d . 1 . .
    H H4 0.9283 0.4309 0.4279 0.122 Uiso calc R 1 . .
    C C5 0.8346(5) 0.5481(3) 0.3745(2) 0.0917(10) Uani d . 1 . .
    H H5 0.8077 0.5827 0.4189 0.110 Uiso calc R 1 . .
    C C6 0.8005(4) 0.5878(2) 0.30425(16) 0.0686(6) Uani d . 1 . .
    H H6 0.7482 0.6488 0.3009 0.082 Uiso calc R 1 . .
    C C7 0.5691(4) 0.45867(19) 0.10837(16) 0.0681(7) Uani d . 1 . .
    H H7A 0.6462 0.4168 0.1369 0.082 Uiso calc R 1 . .
    H H7B 0.5796 0.4435 0.0542 0.082 Uiso calc R 1 . .
    C C8 0.3874(4) 0.4433(2) 0.13518(19) 0.0747(8) Uani d . 1 . .
    H H8 0.3096 0.4357 0.0916 0.090 Uiso calc R 1 . .
    C C9 0.3440(3) 0.53476(17) 0.18263(16) 0.0588(6) Uani d . 1 . .
    H H9 0.2234 0.5517 0.1781 0.071 Uiso calc R 1 . .
    C C10 0.4575(3) 0.61637(17) 0.15104(15) 0.0557(5) Uani d . 1 . .
    H H10 0.4883 0.6632 0.1914 0.067 Uiso calc R 1 . .
    C C11 0.3665(5) 0.6685(3) 0.0833(2) 0.0920(10) Uani d . 1 . .
    H H11A 0.3352 0.6192 0.0458 0.110 Uiso calc R 1 . .
    H H11B 0.2621 0.6972 0.1025 0.110 Uiso calc R 1 . .
    C C12 0.4597(7) 0.7429(3) 0.0450(3) 0.1202(17) Uani d . 1 . .
    H H12A 0.3919 0.7699 0.0043 0.180 Uiso calc R 1 . .
    H H12B 0.5619 0.7154 0.0239 0.180 Uiso calc R 1 . .
    H H12C 0.4885 0.7938 0.0808 0.180 Uiso calc R 1 . .
    C C13 0.3697(4) 0.3592(2) 0.1916(2) 0.0875(10) Uani d . 1 . .
    H H13A 0.2528 0.3368 0.1943 0.105 Uiso calc R 1 . .
    H H13B 0.4417 0.3046 0.1769 0.105 Uiso calc R 1 . .
    C C14 0.4258(4) 0.4018(2) 0.2676(2) 0.0751(8) Uani d . 1 . .
    H H14A 0.3632 0.3727 0.3098 0.090 Uiso calc R 1 . .
    H H14B 0.5464 0.3914 0.2757 0.090 Uiso calc R 1 . .
    C C15 0.3515(3) 0.56448(18) 0.32355(16) 0.0600(6) Uani d . 1 . .
    C C16 0.4091(4) 0.5380(3) 0.39613(18) 0.0774(8) Uani d . 1 . .
    H H16 0.4693 0.4799 0.4022 0.093 Uiso calc R 1 . .
    C C17 0.3784(5) 0.5965(3) 0.45950(19) 0.0887(9) Uani d . 1 . .
    H H17 0.4201 0.5788 0.5075 0.106 Uiso calc R 1 . .
    C C18 0.2869(5) 0.6800(3) 0.4508(2) 0.0878(9) Uani d . 1 . .
    C C19 0.2269(5) 0.7091(2) 0.3820(2) 0.0821(9) Uani d . 1 . .
    H H19 0.1645 0.7667 0.3778 0.099 Uiso calc R 1 . .
    C C20 0.2590(4) 0.65234(19) 0.31722(17) 0.0663(6) Uani d . 1 . .
    H H20 0.2190 0.6726 0.2695 0.080 Uiso calc R 1 . .
    N N1 0.6089(3) 0.56322(15) 0.12251(11) 0.0573(5) Uani d . 1 . .
    N N2 0.3872(3) 0.50680(14) 0.26055(14) 0.0631(5) Uani d . 1 . .
    O O1 0.9113(3) 0.54336(19) 0.09379(15) 0.0943(7) Uani d . 1 . .
    O O2 0.8064(3) 0.69439(13) 0.15688(13) 0.0760(5) Uani d . 1 . .
    F F1 0.2580(4) 0.73861(19) 0.51416(14) 0.1307(10) Uani d . 1 . .
    S S1 0.80087(8) 0.59083(4) 0.14770(4) 0.05924(19) Uani d . 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
    C1 C6 . 1.375(4) ?
    C1 C2 . 1.384(4) ?
    C1 S1 . 1.770(3) y
    C2 C3 . 1.373(5) ?
    C2 H2 . 0.93 ?
    C3 C4 . 1.373(6) ?
    C3 H3 . 0.93 ?
    C4 C5 . 1.359(6) ?
    C4 H4 . 0.93 ?
    C5 C6 . 1.366(5) ?
    C5 H5 . 0.93 ?
    C6 H6 . 0.93 ?
    C7 N1 . 1.481(3) y
    C7 C8 . 1.519(4) ?
    C7 H7A . 0.97 ?
    C7 H7B . 0.97 ?
    C8 C13 . 1.517(5) ?
    C8 C9 . 1.535(4) ?
    C8 H8 . 0.98 ?
    C9 N2 . 1.450(4) y
    C9 C10 . 1.529(3) ?
    C9 H9 . 0.98 ?
    C10 N1 . 1.481(3) y
    C10 C11 . 1.553(4) ?
    C10 H10 . 0.98 ?
    C11 C12 . 1.419(6) ?
    C11 H11A . 0.97 ?
    C11 H11B . 0.97 ?
    C12 H12A . 0.96 ?
    C12 H12B . 0.96 ?
    C12 H12C . 0.96 ?
    C13 C14 . 1.511(5) ?
    C13 H13A . 0.97 ?
    C13 H13B . 0.97 ?
    C14 N2 . 1.469(3) y
    C14 H14A . 0.97 ?
    C14 H14B . 0.97 ?
    C15 N2 . 1.379(4) y
    C15 C16 . 1.391(4) ?
    C15 C20 . 1.407(4) ?
    C16 C17 . 1.383(5) ?
    C16 H16 . 0.93 ?
    C17 C18 . 1.356(5) ?
    C17 H17 . 0.93 ?
    C18 C19 . 1.348(5) ?
    C18 F1 . 1.383(4) y
    C19 C20 . 1.391(4) ?
    C19 H19 . 0.93 ?
    C20 H20 . 0.93 ?
    N1 S1 . 1.617(2) y
    O1 S1 . 1.434(2) y
    O2 S1 . 1.422(2) y
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
    C6 C1 C2 . . 119.6(3) ?
    C6 C1 S1 . . 119.70(18) ?
    C2 C1 S1 . . 120.7(2) ?
    C3 C2 C1 . . 119.8(3) ?
    C3 C2 H2 . . 120.1 ?
    C1 C2 H2 . . 120.1 ?
    C4 C3 C2 . . 119.7(3) ?
    C4 C3 H3 . . 120.2 ?
    C2 C3 H3 . . 120.2 ?
    C5 C4 C3 . . 120.6(3) ?
    C5 C4 H4 . . 119.7 ?
    C3 C4 H4 . . 119.7 ?
    C4 C5 C6 . . 120.2(4) ?
    C4 C5 H5 . . 119.9 ?
    C6 C5 H5 . . 119.9 ?
    C5 C6 C1 . . 120.1(3) ?
    C5 C6 H6 . . 119.9 ?
    C1 C6 H6 . . 119.9 ?
    N1 C7 C8 . . 106.3(2) ?
    N1 C7 H7A . . 110.5 ?
    C8 C7 H7A . . 110.5 ?
    N1 C7 H7B . . 110.5 ?
    C8 C7 H7B . . 110.5 ?
    H7A C7 H7B . . 108.7 ?
    C7 C8 C13 . . 113.0(3) ?
    C7 C8 C9 . . 105.2(2) ?
    C13 C8 C9 . . 104.2(3) ?
    C7 C8 H8 . . 111.4 ?
    C13 C8 H8 . . 111.4 ?
    C9 C8 H8 . . 111.4 ?
    N2 C9 C10 . . 113.1(2) ?
    N2 C9 C8 . . 103.78(19) ?
    C10 C9 C8 . . 105.6(2) ?
    N2 C9 H9 . . 111.4 ?
    C10 C9 H9 . . 111.4 ?
    C8 C9 H9 . . 111.4 ?
    N1 C10 C9 . . 103.53(18) ?
    N1 C10 C11 . . 109.9(2) ?
    C9 C10 C11 . . 109.8(2) ?
    N1 C10 H10 . . 111.1 ?
    C9 C10 H10 . . 111.1 ?
    C11 C10 H10 . . 111.1 ?
    C12 C11 C10 . . 116.6(4) ?
    C12 C11 H11A . . 108.2 ?
    C10 C11 H11A . . 108.2 ?
    C12 C11 H11B . . 108.2 ?
    C10 C11 H11B . . 108.2 ?
    H11A C11 H11B . . 107.3 ?
    C11 C12 H12A . . 109.5 ?
    C11 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C11 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    C14 C13 C8 . . 104.5(2) ?
    C14 C13 H13A . . 110.9 ?
    C8 C13 H13A . . 110.9 ?
    C14 C13 H13B . . 110.9 ?
    C8 C13 H13B . . 110.9 ?
    H13A C13 H13B . . 108.9 ?
    N2 C14 C13 . . 104.0(2) ?
    N2 C14 H14A . . 111.0 ?
    C13 C14 H14A . . 111.0 ?
    N2 C14 H14B . . 111.0 ?
    C13 C14 H14B . . 111.0 ?
    H14A C14 H14B . . 109.0 ?
    N2 C15 C16 . . 120.6(2) ?
    N2 C15 C20 . . 121.9(2) ?
    C16 C15 C20 . . 117.4(3) ?
    C17 C16 C15 . . 121.3(3) ?
    C17 C16 H16 . . 119.4 ?
    C15 C16 H16 . . 119.4 ?
    C18 C17 C16 . . 119.2(3) ?
    C18 C17 H17 . . 120.4 ?
    C16 C17 H17 . . 120.4 ?
    C19 C18 C17 . . 122.2(3) ?
    C19 C18 F1 . . 118.8(3) ?
    C17 C18 F1 . . 118.9(4) ?
    C18 C19 C20 . . 119.6(3) ?
    C18 C19 H19 . . 120.2 ?
    C20 C19 H19 . . 120.2 ?
    C19 C20 C15 . . 120.3(3) ?
    C19 C20 H20 . . 119.9 ?
    C15 C20 H20 . . 119.9 ?
    C7 N1 C10 . . 110.9(2) y
    C7 N1 S1 . . 117.8(2) y
    C10 N1 S1 . . 123.1(2) y
    C15 N2 C9 . . 123.2(2) y
    C15 N2 C14 . . 122.1(2) y
    C9 N2 C14 . . 112.5(2) y
    O2 S1 O1 . . 120.2(2) y
    O2 S1 N1 . . 106.90(10)
                          y
    O1 S1 N1 . . 106.40(10)
                          y
    O2 S1 C1 . . 107.40(10)
                          y
    O1 S1 C1 . . 106.60(10)
                          y
    N1 S1 C1 . . 108.90(10)
                          y
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 . . . . 0.2(4) ?
    S1 C1 C2 C3 . . . . -179.9(2) ?
    C1 C2 C3 C4 . . . . -0.2(5) ?
    C2 C3 C4 C5 . . . . -0.5(6) ?
    C3 C4 C5 C6 . . . . 1.4(6) ?
    C4 C5 C6 C1 . . . . -1.4(5) ?
    C2 C1 C6 C5 . . . . 0.7(4) ?
    S1 C1 C6 C5 . . . . -179.2(2) ?
    N1 C7 C8 C13 . . . . -126.9(3) ?
    N1 C7 C8 C9 . . . . -13.8(3) ?
    C7 C8 C9 N2 . . . . -92.5(3) ?
    C13 C8 C9 N2 . . . . 26.6(3) ?
    C7 C8 C9 C10 . . . . 26.6(3) ?
    C13 C8 C9 C10 . . . . 145.7(2) ?
    N2 C9 C10 N1 . . . . 83.9(2) ?
    C8 C9 C10 N1 . . . . -28.9(2) ?
    N2 C9 C10 C11 . . . . -158.8(2) ?
    C8 C9 C10 C11 . . . . 88.4(3) ?
    N1 C10 C11 C12 . . . . -63.5(4) ?
    C9 C10 C11 C12 . . . . -176.7(3) ?
    C7 C8 C13 C14 . . . . 79.9(3) ?
    C9 C8 C13 C14 . . . . -33.8(3) ?
    C8 C13 C14 N2 . . . . 27.6(3) ?
    N2 C15 C16 C17 . . . . 178.2(3) ?
    C20 C15 C16 C17 . . . . -0.8(4) ?
    C15 C16 C17 C18 . . . . 1.6(5) ?
    C16 C17 C18 C19 . . . . -1.2(5) ?
    C16 C17 C18 F1 . . . . -179.4(3) ?
    C17 C18 C19 C20 . . . . 0.0(5) ?
    F1 C18 C19 C20 . . . . 178.2(3) ?
    C18 C19 C20 C15 . . . . 0.8(5) ?
    N2 C15 C20 C19 . . . . -179.4(3) ?
    C16 C15 C20 C19 . . . . -0.4(4) ?
    C8 C7 N1 C10 . . . . -4.5(3) ?
    C8 C7 N1 S1 . . . . 145.2(2) ?
    C9 C10 N1 C7 . . . . 20.9(3) ?
    C11 C10 N1 C7 . . . . -96.3(3) ?
    C9 C10 N1 S1 . . . . -126.91(19) ?
    C11 C10 N1 S1 . . . . 115.9(2) ?
    C16 C15 N2 C9 . . . . -174.3(2) ?
    C20 C15 N2 C9 . . . . 4.6(4) ?
    C16 C15 N2 C14 . . . . 23.8(4) ?
    C20 C15 N2 C14 . . . . -157.2(2) ?
    C10 C9 N2 C15 . . . . 73.1(3) ?
    C8 C9 N2 C15 . . . . -173.1(2) ?
    C10 C9 N2 C14 . . . . -123.5(2) ?
    C8 C9 N2 C14 . . . . -9.6(3) ?
    C13 C14 N2 C15 . . . . 152.4(2) ?
    C13 C14 N2 C9 . . . . -11.2(3) ?
    C7 N1 S1 O2 . . . . 179.42(19) ?
    C10 N1 S1 O2 . . . . -34.8(2) ?
    C7 N1 S1 O1 . . . . 49.8(2) ?
    C10 N1 S1 O1 . . . . -164.5(2) ?
    C7 N1 S1 C1 . . . . -64.8(2) ?
    C10 N1 S1 C1 . . . . 80.9(2) ?
    C6 C1 S1 O2 . . . . 28.8(2) ?
    C2 C1 S1 O2 . . . . -151.1(2) ?
    C6 C1 S1 O1 . . . . 158.9(2) ?
    C2 C1 S1 O1 . . . . -21.0(2) ?
    C6 C1 S1 N1 . . . . -86.6(2) ?
    C2 C1 S1 N1 . . . . 93.5(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
    C3 H3 O2 3_745 0.93 2.59 3.504(4) 168
data_global
_journal_date_recd_electronic     2007-03-20
_journal_date_accepted     2007-03-22
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue      5
_journal_page_first     o2057
_journal_page_last     o2059
_journal_paper_category     EO
_journal_coeditor_code     CI2323
_publ_contact_author_name     'Prof. D. Velmurugan'
_publ_contact_author_address
;   Department of Crystallography and Biophysics
    University of Madras
    Guindy Campus
    Madras 600 025
    India
;
_publ_contact_author_email     'd_velu@yahoo.com'
_publ_contact_author_fax     '044 091 2235 2494'
_publ_contact_author_phone     '044 091 2235 1367'
_publ_section_title
;
6-Ethyl-1-(4-flurophenyl)-5-benzenesulfonyl
octahydro-cis-pyrrolo[3,4-b]pyrrole
;
loop_
    _publ_author_name
    _publ_author_address
    'S. Sundaramoorthy'
;     Department of Crystallography and Biophysics
      University of Madras
      Guindy Campus
      Chennai 600 025
      India
;
    'D. Gayathri'
;     Department of Crystallography and Biophysics
      University of Madras
      Guindy Campus
      Chennai 600 025
      India
;
    'D. Velmurugan'
;     Department of Crystallography and Biophysics
      University of Madras
      Guindy Campus
      Chennai 600 025
      India
;
    'K. Ravikumar'
;     Laboratory of X-ray Crystallography
      Indian Institute of Chemical Technology
      Hyderabad 500 007
      India
;
    'M. Poornachandran'
;     Department of Organic Chemistry
      University of Madras
      Guindy Campus
      Chennai 600 025
      India
;
