<i>N</i>-(2-Phenylimidazo[1,2-<i>a</i>]pyridin-3-yl)acetamide
Anaflous, Abderrahmane; Albay, Hanane; Benchat, Nour-eddine; El Bali, Brahim; Dušek, Michal; Fejfarová, Karla; Acta Crystallographica Section E 64 (2008) o926–; doi:10.1107/S1600536808011501

data_2218110
_publ_section_title
;
 <i>N</i>-(2-Phenylimidazo[1,2-<i>a</i>]pyridin-3-yl)acetamide
;
_journal_coeditor_code           FJ2112
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o926
_journal_paper_doi               10.1107/S1600536808011501
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C15 H13 N3 O'
_chemical_formula_moiety         'C15 H13 N3 O'
_chemical_formula_sum            'C15 H13 N3 O'
_chemical_formula_weight         251.3
_chemical_name_systematic
;
<i>N</i>-(2-Phenylimidazo[1,2-<i>a</i>]pyridin-3-yl)acetamide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 101.039(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.9680(5)
_cell_length_b                   5.6784(2)
_cell_length_c                   15.8145(5)
_cell_measurement_reflns_used    4755
_cell_measurement_temperature    120
_cell_measurement_theta_max      26.4992
_cell_measurement_theta_min      2.6177
_cell_volume                     1231.13(7)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 1999)'
_computing_publication_material
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>,  2006)'
_computing_structure_refinement
'JANA2006 (Pet\<r\'i\<cek <i>et al.</i>,  2006)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>,  2003)'
_diffrn_ambient_temperature      120
_diffrn_detector_area_resol_mean 8.3438
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type
'Oxford Diffraction Xcalibur2 diffractometer with Sapphire2 CCD detector'
_diffrn_measurement_method       'Rotation method data acquisition using \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0537
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            15703
_diffrn_reflns_reduction_process
;
Integration of the CCD images was done by CrysAlisRED
(Oxford diffraction, 2006).
;
_diffrn_reflns_theta_full        26.52
_diffrn_reflns_theta_max         26.52
_diffrn_reflns_theta_min         2.62
_exptl_absorpt_coefficient_mu    0.088
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.35530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             528
_exptl_crystal_size_max          0.5778
_exptl_crystal_size_mid          0.2480
_exptl_crystal_size_min          0.1661
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.14
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.00
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_constraints    45
_refine_ls_number_parameters     175
_refine_ls_number_reflns         2556
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0356
_refine_ls_shift/su_max          0.0063
_refine_ls_shift/su_mean         0.0008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/[\s^2^(I)+0.0016I^2^]
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0841
_reflns_number_gt                1544
_reflns_number_total             2556
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            fj2112.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C15 H13 N3 O1'
_cod_database_code               2218110
_cod_database_fobs_code          2218110