<i>N</i>,<i>N</i>'-Bis(2-hydroxypropyl)dithiooxamide
Jean, Y.C.; Acta Crystallographica Section C 50 (1994) 1163–1165; doi:10.1107/S0108270193013393

data_2009872
_publ_section_title
;
 <i>N</i>,<i>N</i>'-Bis(2-hydroxypropyl)dithiooxamide
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1163
_journal_page_last               1165
_journal_paper_doi               10.1107/S0108270193013393
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C8 H16 N2 O2 S2'
_chemical_formula_weight         236
_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                 92.480(10)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   6.7560(10)
_cell_length_b                   4.8230(10)
_cell_length_c                   18.628(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      16.9
_cell_volume                     606.41(18)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  .032
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1155
_diffrn_reflns_theta_max         50
_diffrn_standards_decay_%        <3
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.40
_exptl_absorpt_correction_T_max  0.99681
_exptl_absorpt_correction_T_min  0.95808
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.29
_exptl_crystal_density_meas      1.28
_exptl_crystal_description       needle
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       0.56(9)
_refine_ls_extinction_method     secondary
_refine_ls_goodness_of_fit_obs   1.58
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     97
_refine_ls_number_reflns         757
_refine_ls_R_factor_obs          0.036
_refine_ls_shift/esd_max         <0.01
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'Weights from counting statistics'
_refine_ls_wR_factor_obs         0.022
_reflns_number_observed          757
_reflns_number_total             1060
_reflns_observed_criterion       I>=1.5\s(I)
_cod_data_source_file            hl1034.cif
_cod_data_source_block           hl1034_structure_1_of_1
_cod_depositor_comments
;
 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-17
;
_cod_original_cell_volume        606.4(2)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2009872