<i>N</i>-Phenyl-2-phenyliminotetrahydro-1,3-thiazole-2-carbothioamide, C~16~H~15~N~3~S~2~
Diánez, M.J.; Estrada, M.D.; López-Castro, A.; Pérez-Garrido, S.; Acta Crystallographica Section C 50 (1994) 1640–1642; doi:10.1107/S0108270193013708

data_2010073
_publ_section_title
;
 <i>N</i>-Phenyl-2-phenyliminotetrahydro-1,3-thiazole-2-carbothioamide,
 C~16~H~15~N~3~S~2~
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1640
_journal_page_last               1642
_journal_paper_doi               10.1107/S0108270193013708
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C16 H15 N3 S2'
_chemical_formula_weight         313.43
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   11.0400(10)
_cell_length_b                   18.3730(10)
_cell_length_c                   7.4740(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     1516.0(3)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.008
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2515
_diffrn_reflns_theta_max         20
_diffrn_standards_decay_%        insignificant
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.332
_exptl_absorpt_correction_T_max  1.360
_exptl_absorpt_correction_T_min  0.655
_exptl_absorpt_correction_type   'empirical (Walker & Stuart, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.36
_exptl_crystal_density_meas      1.37
_exptl_crystal_density_method    'flotation in bromobenzene/ethanol'
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.2
_refine_diff_density_min         -0.2
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.67
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2394
_refine_ls_R_factor_obs          0.032
_refine_ls_shift/esd_max         0.004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.033
_reflns_number_observed          2394
_reflns_number_total             2515
_reflns_observed_criterion       I>=3\s(I)
_cod_data_source_file            ab1103.cif
_cod_data_source_block           ab1103_structure_1_of_1
_cod_depositor_comments
;
 Updating space group information and adding the symmetry operation list.

 Antanas Vaitkus,
 2018-06-18
;
_cod_database_code               2010073