2-(2-Aminophénylthio)-2-(2-thiényl)éthyl 2-Thiényl Cétone
Morgant, G.; Labouze, X.; Viossat, B.; Lancelot, J.-C.; Nguyen Huy Dung; Acta Crystallographica Section C 52 (1996) 923–925; doi:10.1107/S0108270195011553

data_2004803
_publ_section_title
;
 2-(2-Aminoph\'enylthio)-2-(2-thi\'enyl)\'ethyl 2-Thi\'enyl C\'etone
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              923
_journal_page_last               925
_journal_paper_doi               10.1107/S0108270195011553
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C17 H15 N O S3'
_chemical_formula_weight         345.51
_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                 91.90(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.513(2)
_cell_length_b                   9.806(3)
_cell_length_c                   14.780(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      16.41
_cell_measurement_theta_min      5.64
_cell_volume                     1667.7(7)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3045
_diffrn_reflns_theta_max         24.80
_diffrn_standards_decay_%        -0.06
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.426
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.88
_exptl_absorpt_correction_type   'affinement (bas\'e sur le \DF)'
_exptl_crystal_colour            blanc
_exptl_crystal_density_diffrn    1.376
_exptl_crystal_density_meas      1.39
_exptl_crystal_density_method    'flottement dans CH~2~Cl~2~/CHCl~3~'
_exptl_crystal_description       parall\'el\'epip\`ede
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.219
_refine_diff_density_min         -0.259
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.99
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     235
_refine_ls_number_reflns         1952
_refine_ls_R_factor_obs          0.047
_refine_ls_shift/esd_max         0.44
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.044
_reflns_number_observed          1952
_reflns_number_total             3045
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1196.cif
_cod_data_source_block           pa1196a
_cod_original_cell_volume        1667.6(8)
_cod_original_sg_symbol_H-M      'P 21/n'
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