1-Phenyl-2-[4-(trifluoro-meth-yl)phen-yl]-1H-benzimidazole.
Jayamoorthy, K.; Mohandas, T.; Sakthivel, P.; Jayabharathi, J.; Acta crystallographica. Section E, Structure reports online 69 (2013) o244–; doi:10.1107/S1600536813000834

data_2311128
_publ_section_title
;
 1-Phenyl-2-[4-(trifluoro-meth-yl)phen-yl]-1H-benzimidazole.
;
_journal_coeditor_code           BV2218
_journal_issue                   'Pt 2'
_journal_name_full
'Acta crystallographica. Section E, Structure reports online'
_journal_page_first              o244
_journal_paper_doi               10.1107/S1600536813000834
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C20 H13 F3 N2'
_chemical_formula_moiety         'C20 H13 F3 N2'
_chemical_formula_sum            'C20 H13 F3 N2'
_chemical_formula_weight         338.32
_chemical_name_systematic
;
1-Phenyl-2-[4-(trifluoromethyl)phenyl]-1<i>H</i>-benzimidazole
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                67.654(2)
_cell_angle_beta                 68.123(2)
_cell_angle_gamma                85.013(2)
_cell_formula_units_Z            2
_cell_length_a                   8.7179(4)
_cell_length_b                   9.6796(5)
_cell_length_c                   11.3612(6)
_cell_measurement_reflns_used    7057
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.087
_cell_measurement_theta_min      2.279
_cell_volume                     821.20(7)
_computing_cell_refinement       'APEX2 and SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker Kappa APEXII'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0178
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            16592
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.28
_exptl_absorpt_coefficient_mu    0.105
_exptl_absorpt_correction_T_max  0.9862
_exptl_absorpt_correction_T_min  0.9598
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker,2008)'
_exptl_crystal_colour            ' colourless'
_exptl_crystal_density_diffrn    1.368
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       ' block'
_exptl_crystal_F_000             348
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.151
_refine_diff_density_min         -0.137
_refine_ls_extinction_coef       0.143(7)
_refine_ls_extinction_expression (Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         2889
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.081
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0377
_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^)+(0.0469P)^2^+0.1406P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0936
_refine_ls_wR_factor_ref         0.1048
_reflns_number_gt                2338
_reflns_number_total             2889
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            bv2218sup1.cif
_cod_data_source_block           I
_cod_database_code               2311128