3,4-Di-<i>p</i>-tolyl-6,7-dihydroimidazo[2,1-<i>b</i>][1,3]thiazole
Özbey, Süheyla; Meriç, Asiye; Acta Crystallographica Section E 62 (2006) o2717–o2719; doi:10.1107/S160053680602099X

data_2209483
_publ_section_title
;
 3,4-Di-<i>p</i>-tolyl-6,7-dihydroimidazo[2,1-<i>b</i>][1,3]thiazole
;
_journal_coeditor_code           ER2004
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2717
_journal_page_last               o2719
_journal_paper_doi               10.1107/S160053680602099X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C19 H18 N2 S'
_chemical_formula_moiety         'C19 H18 N2 S'
_chemical_formula_sum            'C19 H18 N2 S'
_chemical_formula_weight         306.41
_chemical_name_systematic
;
3,4-Di-p-tolyl-6,7-dihydroimidazo[2,1-b][1,3]thiazole
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 91.76(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.064(4)
_cell_length_b                   7.901(2)
_cell_length_c                   22.401(7)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      42.81
_cell_measurement_theta_min      21.22
_cell_volume                     3195.6(15)
_computing_cell_refinement       'CAD-4 EXPRESS'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.927
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Enraf Nonius TurboCAD-4'
_diffrn_measurement_method       'non-profiled \w'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            3110
_diffrn_reflns_theta_full        74.16
_diffrn_reflns_theta_max         74.16
_diffrn_reflns_theta_min         3.95
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.761
_exptl_absorpt_correction_T_max  0.810
_exptl_absorpt_correction_T_min  0.632
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.274
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.593
_refine_diff_density_min         -0.417
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     199
_refine_ls_number_reflns         3018
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_gt           0.0634
_refine_ls_shift/su_max          0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0984P)^2^+2.0386P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1848
_reflns_number_gt                2081
_reflns_number_total             3018
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            er2004.cif
_cod_data_source_block           3
_cod_original_cell_volume        3195.9(15)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2209483