4-Methyl-<i>N</i>-[(2-oxo-1,3-thiazolidin-3-yl)carbonyl]benzenesulfonamide
Chen, Qing-Wu; Weng, Jian-Quan; Tan, Cheng-Xia; Shen, De-Long; Acta Crystallographica Section E 66 (2010) o1159–; doi:10.1107/S1600536810014467

data_2225816
_publ_section_title
;
 4-Methyl-<i>N</i>-[(2-oxo-1,3-thiazolidin-3-yl)carbonyl]benzenesulfonamide
;
_journal_coeditor_code           CV2707
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1159
_journal_paper_doi               10.1107/S1600536810014467
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C11 H12 N2 O4 S2'
_chemical_formula_moiety         'C11 H12 N2 O4 S2'
_chemical_formula_sum            'C11 H12 N2 O4 S2'
_chemical_formula_weight         300.35
_chemical_name_systematic
;
4-Methyl-<i>N</i>-[(2-oxo-1,3-thiazolidin-3-yl)carbonyl]benzenesulfonamide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.7232(10)
_cell_angle_beta                 86.3267(11)
_cell_angle_gamma                76.5399(11)
_cell_formula_units_Z            4
_cell_length_a                   9.5560(4)
_cell_length_b                   9.6722(4)
_cell_length_c                   14.6352(6)
_cell_measurement_reflns_used    10300
_cell_measurement_temperature    296.0(10)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     1312.80(9)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 2006)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 2006)'
_computing_data_reduction        'CrystalStructure (Rigaku, 2007)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.019
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13020
_diffrn_reflns_theta_full        27.44
_diffrn_reflns_theta_max         27.44
_exptl_absorpt_coefficient_mu    0.416
_exptl_absorpt_correction_T_max  0.943
_exptl_absorpt_correction_T_min  0.825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.519
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             624.00
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.52
_refine_diff_density_min         -0.38
_refine_ls_extinction_coef       0.0029(10)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5941
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0833P)^2^+0.8006P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1525
_reflns_number_gt                4475
_reflns_number_total             5941
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            cv2707.cif
_cod_data_source_block           I
_cod_database_code               2225816
_cod_database_fobs_code          2225816