<i>N</i>-(2-Thienylmethylene)-2-(2-{[2-(2-thienylmethyleneamino)phenyl]sulfanyl}ethylsulfanyl)aniline
Kakanejadifard, Ali; Amani, Vahid; Acta Crystallographica Section E 65 (2009) o1712–; doi:10.1107/S1600536809024404

data_2222364
_publ_section_title
<i>N</i>-(2-Thienylmethylene)-2-(2-{[2-(2-thienylmethyleneamino)phenyl]sulfanyl}ethylsulfanyl)aniline
_journal_coeditor_code           HK2716
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1712
_journal_paper_doi               10.1107/S1600536809024404
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          'C24 H20 N2 S4'
_chemical_formula_moiety         'C24 H20 N2 S4'
_chemical_formula_sum            'C24 H20 N2 S4'
_chemical_formula_weight         464.66
_chemical_name_systematic
;
<i>N</i>-(2-Thienylmethylene)-2-(2-{[2-(2-
thienylmethyleneamino)phenyl]sulfanyl}ethylsulfanyl)aniline
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.899(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.179(5)
_cell_length_b                   7.730(4)
_cell_length_c                   12.608(6)
_cell_measurement_reflns_used    887
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      3
_cell_volume                     1088.9(9)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12880
_diffrn_reflns_theta_full        29.00
_diffrn_reflns_theta_max         29.00
_diffrn_reflns_theta_min         1.82
_exptl_absorpt_coefficient_mu    0.451
_exptl_absorpt_correction_T_max  0.930
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             484
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.337
_refine_diff_density_min         -0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2899
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0340
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0441P)^2^+0.43P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0751
_refine_ls_wR_factor_ref         0.0791
_reflns_number_gt                2569
_reflns_number_total             2899
_reflns_threshold_expression     I>2/s(I)
_cod_data_source_file            hk2716.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2222364
_cod_database_fobs_code          2222364