Crystal Structure of Dichlorphenamide
Haramura, Masayuki; Yanaka, Akito; Akimoto, Toshio; Hirayama, Noriaki; Analytical Sciences: X-ray Structure Analysis Online 19 (2003) x35–x36; doi:10.2116/analscix.19.x35

data_1100667
_publ_section_title
;
 Crystal Structure of Dichlorphenamide
;
_journal_name_full
;
 Analytical Sciences: X-ray Structure Analysis Online
;
_journal_page_first              x35
_journal_page_last               x36
_journal_paper_doi               10.2116/analscix.19.x35
_journal_volume                  19
_journal_year                    2003
_chemical_formula_moiety         'C6 H6 Cl2 N2 O4 S2'
_chemical_formula_sum            'C6 H6 Cl2 N2 O4 S2'
_chemical_formula_weight         305.15
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 94.716(9)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   17.202(2)
_cell_length_b                   7.9139(9)
_cell_length_c                   16.507(3)
_cell_measurement_reflns_used    5401
_cell_measurement_temperature    296.1
_cell_measurement_theta_max      67.8
_cell_measurement_theta_min      6.0
_cell_volume                     2239.5(5)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9766
_diffrn_measured_fraction_theta_max 0.9766
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5419
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25216
_diffrn_reflns_theta_full        68.25
_diffrn_reflns_theta_max         68.25
_exptl_absorpt_coefficient_mu    8.761
_exptl_absorpt_correction_T_max  0.269
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chip
_exptl_crystal_F_000             1232.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.29
_refine_ls_extinction_coef       14(2)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     170
_refine_ls_number_reflns         1774
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s(Fo^2^) + 0.5000]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0910
_reflns_number_gt                1771
_reflns_number_total             2171
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_original_formula_sum        'C6 H6 Cl2 N2 O4 S2 '
_cod_database_code               1100667