4-Amino-<i>N</i>-(2-pyrimidinyl)benzenesulfonamide
Kokila, M. K.; Puttaraja, ?; Kulkarni, M. V.; Thampi, S.; Acta Crystallographica Section C 51 (1995) 333–336; doi:10.1107/S0108270193014180

data_2010446
_publ_section_title
;
 4-Amino-<i>N</i>-(2-pyrimidinyl)benzenesulfonamide
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              333
_journal_page_last               336
_journal_paper_doi               10.1107/S0108270193014180
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C10 H10 N4 O2 S'
_chemical_formula_weight         250.28
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 114.563(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.613(5)
_cell_length_b                   5.919(9)
_cell_length_c                   14.988(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    300
_cell_measurement_theta_max      25
_cell_measurement_theta_min      20
_cell_volume                     1098.4(17)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3698
_diffrn_reflns_theta_max         65
_diffrn_standards_decay_%        ' no specific variation'
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.56
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_meas      1.509
_exptl_crystal_density_method    'flotation in KI soluiton'
_exptl_crystal_description       Needle
_exptl_crystal_size_max          1.1
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.550
_refine_diff_density_min         -0.600
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.78
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     194
_refine_ls_number_reflns         1686
_refine_ls_R_factor_obs          0.064
_refine_ls_shift/esd_max         0.349
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.086
_reflns_number_observed          1686
_reflns_number_total             3698
_reflns_observed_criterion       I>=2.5(I)
_cod_data_source_file            cr1071.cif
_cod_data_source_block           cr1071_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-15

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1098.3(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C10 H10 N4 O2 S1'
_cod_database_code               2010446