2-(4-Fluorophenyl)-<i>N</i>-{4-[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-<i>b</i>][1,3]thiazol-5-yl]pyridin-2-yl}acetamide
Selig, Roland; Schollmeyer, Dieter; Albrecht, Wolfgang; Laufer, Stefan; Acta Crystallographica Section E 66 (2010) o1132–; doi:10.1107/S1600536810012766

data_2225901
_publ_section_title
;
 2-(4-Fluorophenyl)-<i>N</i>-{4-[6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-<i>b</i>][1,3]thiazol-5-yl]pyridin-2-yl}acetamide
;
_journal_coeditor_code           IM2189
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1132
_journal_paper_doi               10.1107/S1600536810012766
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C24 H18 F2 N4 O S'
_chemical_formula_moiety         'C24 H18 F2 N4 O S'
_chemical_formula_sum            'C24 H18 F2 N4 O S'
_chemical_formula_weight         448.48
_chemical_name_systematic
;
2-(4-Fluorophenyl)-<i>N</i>-{4-[6-(4-fluorophenyl)-2,3-
dihydroimidazo[2,1-<i>b</i>][1,3]thiazol-5-yl]pyridin-2-yl}acetamide
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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                 91.523(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.9179(3)
_cell_length_b                   23.5920(10)
_cell_length_c                   18.4834(9)
_cell_measurement_reflns_used    3757
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      2.2
_cell_volume                     2143.74(19)
_computing_cell_refinement       'APEX2 (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'APEX2 (Bruker, 2006)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_diffrn_measurement_method       'CCD scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            10277
_diffrn_reflns_theta_full        28.18
_diffrn_reflns_theta_max         28.18
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    0.193
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.390
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.232
_refine_diff_density_min         -0.203
_refine_ls_abs_structure_details 'Flack (1983), 2197 Friedel pairs'
_refine_ls_abs_structure_Flack   0.07(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4846
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0382
_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^)+(0.0433P)^2^+0.4891P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0853
_refine_ls_wR_factor_ref         0.0903
_reflns_number_gt                4129
_reflns_number_total             4846
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            im2189.cif
_cod_data_source_block           I
_cod_original_cell_volume        2143.8(2)
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2225901
_cod_database_fobs_code          2225901