6-Bromo-3-(2-methylpropenyl)imidazo[1,2-<i>a</i>]pyridine
Rui Zhang; Yongzhou Hu; Acta Crystallographica Section E 61 (2005) o4037–o4038; doi:10.1107/S1600536805035634

data_2207604
_publ_section_title
;
 6-Bromo-3-(2-methylpropenyl)imidazo[1,2-<i>a</i>]pyridine
;
_journal_coeditor_code           NC6047
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4037
_journal_page_last               o4038
_journal_paper_doi               10.1107/S1600536805035634
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C11 H11 Br N2'
_chemical_formula_moiety         'C11 H11 Br N2'
_chemical_formula_sum            'C11 H11 Br N2'
_chemical_formula_weight         251.13
_chemical_name_systematic
;
6-Bromo-3-(2-methylpropenyl)imidazo[1,2-a]pyridine
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                87.773(3)
_cell_angle_beta                 73.715(2)
_cell_angle_gamma                79.578(4)
_cell_formula_units_Z            2
_cell_length_a                   6.5532(6)
_cell_length_b                   7.5940(10)
_cell_length_c                   11.0260(10)
_cell_measurement_reflns_used    2749
_cell_measurement_temperature    295.0(10)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.7
_cell_volume                     517.96(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia,1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Watkin <i>et al.</i>,  2003)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>,  1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9881
_diffrn_measured_fraction_theta_max 0.9877
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4757
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.46
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.940
_exptl_absorpt_correction_T_max  0.359
_exptl_absorpt_correction_T_min  0.323
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       chunk
_exptl_crystal_F_000             252.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.43
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_refine_ls_extinction_coef       27(7)
_refine_ls_extinction_method     'Larson (1970), equation 22'
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_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     128
_refine_ls_number_reflns         2243
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[0.0014Fo^2^ + 1.3\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1140
_reflns_number_gt                1906
_reflns_number_total             2338
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            nc6047.cif
_cod_data_source_block           I
_cod_original_cell_volume        518.00(10)
_cod_database_code               2207604