(<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine
Elaatiaoui, Abdelmalik; Elkalai, Fouad; Benchat, Noureddine; Saadi, Mohamed; El Ammari, Lahcen; IUCrData 1 (2016) x160723–; doi:10.1107/S2414314616007239

data_1543280
_publ_section_title
;
 (<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine
;
_journal_coeditor_code           BT4007
_journal_issue                   5
_journal_name_full               IUCrData
_journal_page_first              x160723
_journal_paper_doi               10.1107/S2414314616007239
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          'C18 H13 N3 S'
_chemical_formula_moiety         'C18 H13 N3 S'
_chemical_formula_sum            'C18 H13 N3 S'
_chemical_formula_weight         303.37
_chemical_name_systematic
(<i>E</i>)-2-Phenyl-<i>N</i>-(thiophen-2-ylmethylidene)imidazo[1,2-<i>a</i>]pyridin-3-amine
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                101.299(8)
_cell_angle_beta                 106.315(9)
_cell_angle_gamma                95.628(8)
_cell_formula_units_Z            4
_cell_length_a                   9.6524(17)
_cell_length_b                   10.1168(17)
_cell_length_c                   16.655(3)
_cell_measurement_reflns_used    8471
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.575
_cell_measurement_theta_min      2.081
_cell_volume                     1510.2(5)
_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 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS2014 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker X8 APEX'
_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  0.0424
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            66495
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.575
_diffrn_reflns_theta_min         2.081
_exptl_absorpt_coefficient_mu    0.213
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6410
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2009)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.332
_exptl_crystal_description       parallelepiped
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.292
_refine_diff_density_min         -0.476
_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     397
_refine_ls_number_reflns         8471
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0742
_refine_ls_R_factor_gt           0.0436
_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^)+(0.0559P)^2^+0.3505P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                5839
_reflns_number_total             8471
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            bt4007sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1510.3(5)
_cod_database_code               1543280
_cod_database_fobs_code          1543280
_shelx_hkl_checksum              80207
_shelx_res_checksum              54875