<i>N</i>-Phenylsulfonyl-<i>N</i>-<i>o</i>-chlorophenylmethacrylamide, C~16~H~14~ClNO~3~S
Shiraga, T.; Iwamoto, T.; Kashino, S.; Acta Crystallographica Section C 51 (1995) 976–978; doi:10.1107/S010827019401200X

data_2003418
_publ_section_title
;
 <i>N</i>-Phenylsulfonyl-<i>N</i>-<i>o</i>-chlorophenylmethacrylamide,
 C~16~H~14~ClNO~3~S
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              976
_journal_page_last               978
_journal_paper_doi               10.1107/S010827019401200X
_journal_volume                  51
_journal_year                    1995
_chemical_compound_source        ' slow evaporation from benzene solution'
_chemical_formula_moiety         'C16 H14 Cl1 N1 O3 S1'
_chemical_formula_sum            'C16 H14 Cl N O3 S'
_chemical_formula_weight         335.81
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 102.330(9)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   14.369(1)
_cell_length_b                   13.5367(7)
_cell_length_c                   8.2496(7)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    298
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      17.5
_cell_volume                     1567.6(2)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2831
_diffrn_reflns_theta_max         62.5
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.51
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_meas      1.42
_exptl_crystal_density_method    'flotation in aqueous KI'
_exptl_crystal_description       'prismatic along c'
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.71
_refine_diff_density_min         -0.27
_refine_ls_extinction_coef       3.325E-6
_refine_ls_extinction_method     'secondary extinction'
_refine_ls_goodness_of_fit_obs   1.412
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     256
_refine_ls_number_reflns         2340
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.59
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[\s(F~o~)^2^ + 0.0003|F~o~| + 0.0009|F~o~|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.060
_reflns_number_observed          2340
_reflns_number_total             2509
_reflns_observed_criterion       F>\s(F)
_cod_data_source_file            as1137.cif
_cod_data_source_block           as1137a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' w = 1/[\s(F~o~)^2^ +
0.0003|F~o~| + 0.0009|F~o~|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s(F~o~)^2^ + 0.0003|F~o~| + 0.0009|F~o~|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'C16 H14 Cl1 N1 O3 S1'
_cod_database_code               2003418