Crystal structure of (<i>E</i>)-4-[<i>N</i>-(7-methyl-2-phenylimidazo[1,2-<i>a</i>]pyridin-3-yl)carboximidoyl]phenol
Elaatiaoui, Abdelmalik; Saddik, Rafik; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen; Acta Crystallographica Section E 71 (2015) o803–o804; doi:10.1107/S2056989015017843

data_2241167
_publ_section_title
;
 Crystal structure of
 (<i>E</i>)-4-[<i>N</i>-(7-methyl-2-phenylimidazo[1,2-<i>a</i>]pyridin-3-yl)carboximidoyl]phenol
;
_journal_coeditor_code           RZ5169
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o803
_journal_page_last               o804
_journal_paper_doi               10.1107/S2056989015017843
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          'C21 H17 N3 O'
_chemical_formula_moiety         'C21 H17 N3 O'
_chemical_formula_sum            'C21 H17 N3 O'
_chemical_formula_weight         327.38
_chemical_name_systematic
(<i>E</i>)-4-[<i>N</i>-(7-Methyl-2-phenylimidazo[1,2-<i>a</i>]pyridin-3-yl)carboximidoyl]phenol
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 101.5480(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.295(3)
_cell_length_b                   9.587(2)
_cell_length_c                   14.977(4)
_cell_measurement_reflns_used    4126
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.876
_cell_measurement_theta_min      2.393
_cell_volume                     1729.6(7)
_computing_cell_refinement
;
SAINT (Bruker, 2009)
;
_computing_data_collection
;
APEX2 (Bruker, 2009)
;
_computing_data_reduction
;
SAINT (Bruker, 2009)
;
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 2012)
;
_computing_publication_material
;
PLATON (Spek, 2009) and publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014/7 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker X8 APEX Diffractometer'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0328
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            26727
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.876
_diffrn_reflns_theta_min         2.393
_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.257
_exptl_crystal_description       block
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.26
_refine_diff_density_max         0.300
_refine_diff_density_min         -0.180
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         4126
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0656P)^2^+0.4096P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1219
_refine_ls_wR_factor_ref         0.1395
_reflns_number_gt                2970
_reflns_number_total             4126
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            rz5169sup1.cif
_cod_data_source_block           I
_cod_database_code               2241167
_cod_database_fobs_code          2241167
_shelx_hkl_checksum              85676
_shelx_res_checksum              14773