2-(4-Bromophenyl)-1-ethyl-1<i>H</i>-1,3-benzodiazole
Dong, Su-Lan; Cheng, Xiao-Chun; Acta Crystallographica Section E 67 (2011) o379–; doi:10.1107/S1600536811001097

data_2229258
_publ_section_title
;
 2-(4-Bromophenyl)-1-ethyl-1<i>H</i>-1,3-benzodiazole
;
_journal_coeditor_code           VM2072
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o379
_journal_paper_doi               10.1107/S1600536811001097
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C15 H13 Br N2'
_chemical_formula_moiety         'C15 H13 Br N2'
_chemical_formula_sum            'C15 H13 Br N2'
_chemical_formula_weight         301.18
_chemical_name_systematic
;
2-(4-Bromophenyl)-1-ethyl-1<i>H</i>-1,3-benzodiazole
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 78.44(3)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      14
_cell_measurement_theta_min      10
_cell_volume                     652.4(3)
_computing_cell_refinement       'CAD-4 Software (Enraf--Nonius, 1985)'
_computing_data_collection       'CAD-4 Software (Enraf--Nonius, 1985)'
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_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
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_diffrn_reflns_theta_max         25.37
_diffrn_reflns_theta_min         2.27
_diffrn_standards_decay_%        1
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_diffrn_standards_interval_time  120
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_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>, 1968)'
_exptl_crystal_colour            colourless
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_exptl_crystal_density_method    'not measured'
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_refine_ls_R_factor_all          0.1114
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0490P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vm2072.cif
_cod_data_source_block           I
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_cod_database_code               2229258
_cod_database_fobs_code          2229258