<i>N</i>-(5-Chloro-2-methoxyphenyl)benzenesulfonamide
Aziz-ur-Rehman; Shahzaman; Akkurt, Mehmet; Abbasi, Muhammad Athar; Khan, Islam Ullah; Acta Crystallographica Section E 66 (2010) o2855–; doi:10.1107/S1600536810041206

data_2227256
_publ_section_title
;
 <i>N</i>-(5-Chloro-2-methoxyphenyl)benzenesulfonamide
;
_journal_coeditor_code           BT5375
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2855
_journal_paper_doi               10.1107/S1600536810041206
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C13 H12 Cl N O3 S'
_chemical_formula_moiety         'C13 H12 Cl N O3 S'
_chemical_formula_sum            'C13 H12 Cl N O3 S'
_chemical_formula_weight         297.76
_chemical_name_systematic
;
<i>N</i>-(5-chloro-2-methoxyphenyl)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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                77.2060(10)
_cell_angle_beta                 76.3660(10)
_cell_angle_gamma                66.4080(10)
_cell_formula_units_Z            2
_cell_length_a                   8.2201(2)
_cell_length_b                   8.9395(2)
_cell_length_c                   10.5544(2)
_cell_measurement_reflns_used    6946
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.51
_cell_volume                     683.65(3)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'Wingx (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0230
_diffrn_reflns_av_sigmaI/netI    0.0213
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            12007
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         4.01
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.434
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             308
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.267
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         3333
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0402
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0504P)^2^+0.1401P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0960
_reflns_number_gt                2906
_reflns_number_total             3333
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5375.cif
_cod_data_source_block           I
_cod_database_code               2227256
_cod_database_fobs_code          2227256