Structures of 1-cyano-2,2-bis(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate (3)
Heinemann, F.; Dölling, W.; Hartung, H.; Acta Crystallographica Section C 48 (1992) 2266–2268; doi:10.1107/S0108270192007479

data_2000412
_publ_section_title
;
 Structures of 1-cyano-2,2-bis(methylthio)vinyl
 <i>N</i>,<i>N</i>-dimethyldithiocarbamate (2) and
 1,2,2-tris(methylthio)vinyl <i>N</i>,<i>N</i>-dimethyldithiocarbamate
 (3)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2266
_journal_page_last               2268
_journal_paper_doi               10.1107/S0108270192007479
_journal_volume                  48
_journal_year                    1992
_chemical_formula_sum            'C8 H12 N2 S4'
_chemical_formula_weight         264.45
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 113.040(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.939(2)
_cell_length_b                   11.403(2)
_cell_length_c                   12.4720(10)
_cell_measurement_reflns_used    82
_cell_measurement_temperature    293
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      12
_cell_volume                     1300.8(4)
_diffrn_measurement_device       'Stoe STADI 4'
_diffrn_measurement_method       \w/\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7280
_diffrn_reflns_theta_max         22.5
_diffrn_standards_decay_%        '5.4, 5.4, 11.9'
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.67
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_description       Irregular
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.27
_refine_diff_density_max         0.280
_refine_diff_density_min         -0.230
_refine_ls_goodness_of_fit_obs   0.762
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     139
_refine_ls_number_reflns         1678
_refine_ls_R_factor_obs          0.039
_refine_ls_shift/esd_max         0.215
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.035
_reflns_number_observed          1678
_reflns_number_total             1700
_reflns_observed_criterion       I>=2\s(I)
_cod_data_source_file            sh1007.cif
_cod_data_source_block           sh1007a
_cod_original_cell_volume        1300.8
_cod_database_code               2000412