A new γ-polymorph of chlorpropamide: 4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide
Tatiana N. Drebushchak; Nikita V. Chukanov; Elena V. Boldyreva; Acta Crystallographica Section C 63 (2007) o355–o357; doi:10.1107/S010827010701952X

data_2016001
_publ_section_title
;
 A new \g-polymorph of chlorpropamide:
 4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide
;
_journal_coeditor_code           LN3052
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o355
_journal_page_last               o357
_journal_paper_doi               10.1107/S010827010701952X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C10 H13 Cl N2 O3 S'
_chemical_formula_moiety         'C10 H13 Cl N2 O3 S'
_chemical_formula_sum            'C10 H13 Cl N2 O3 S'
_chemical_formula_weight         276.74
_chemical_name_common            chlorpropamide
_chemical_name_systematic
;
4-chloro-<i>N</i>-(propylaminocarbonyl)benzenesulfonamide
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL97, X-RED'
_cell_angle_alpha                90.00
_cell_angle_beta                 99.68(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   6.126(2)
_cell_length_b                   8.941(6)
_cell_length_c                   12.020(4)
_cell_measurement_reflns_used    48
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      12.2
_cell_measurement_theta_min      10.0
_cell_volume                     649.0(5)
_computing_cell_refinement       STADI4
_computing_data_collection       'STADI4 (Stoe & Cie, 1997)'
_computing_data_reduction        'X-RED (Stoe & Cie, 1997)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and POWDERCELL (Kraus & Nolze,
1999)
;
_computing_publication_material
;
SHELXL97, X-RED, WinGX (Farrugia, 1999) and publCIF (Westrip,
2007)
;
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe STADI4 four-circle D094'
_diffrn_measurement_method
; Scan width (\w) = 1.60--1.80, scan ratio 2\q:\w = 1.00
  I(Net) and \s(I) calculated according to Blessing (1987)
Blessing, R. H. (1987). <i>Crystallogr. Rev.</i> <b>1</b>, 3--58.
;
_diffrn_radiation_monochromator  'planar graphite'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0879
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3354
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        5.7
_diffrn_standards_interval_time  240
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.453
_exptl_absorpt_correction_T_max  0.9778
_exptl_absorpt_correction_T_min  0.8327
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(X-RED; Stoe & Cie, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.416
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             288
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.224
_refine_diff_density_min         -0.275
_refine_ls_abs_structure_details 'Flack (1983), with 1385 Friedel pairs'
_refine_ls_abs_structure_Flack   0.11(16)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.174
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     157
_refine_ls_number_reflns         2961
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.174
_refine_ls_R_factor_all          0.1631
_refine_ls_R_factor_gt           0.0753
_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/[\s^2^(Fo^2^)+(0.0473P)^2^+0.1797P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1267
_refine_ls_wR_factor_ref         0.1631
_reflns_number_gt                1674
_reflns_number_total             2961
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ln3052.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2016001
_cod_database_fobs_code          2016001