(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,5-Dimethylphenylimino)butan-2-ylidene]-2,5-dimethylaniline
Lv, Wen-Xian; Li, Jian; Hu, Yu-Lai; Su, Ying-Peng; Huang, Dan-Feng; Acta Crystallographica Section E 70 (2014) o175–; doi:10.1107/S1600536814001020

data_2239060
_publ_section_title
;
 (<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,5-Dimethylphenylimino)butan-2-ylidene]-2,5-dimethylaniline
;
_journal_coeditor_code           CV5439
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o175
_journal_paper_doi               10.1107/S1600536814001020
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C20 H24 N2'
_chemical_formula_moiety         'C20 H24 N2'
_chemical_formula_sum            'C20 H24 N2'
_chemical_formula_weight         292.42
_chemical_name_systematic
(<i>Z</i>)-<i>N</i>-[(<i>Z</i>)-3-(2,5-Dimethylphenylimino)butan-2-ylidene]-2,5-dimethylaniline
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.528(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.128(3)
_cell_length_b                   8.304(4)
_cell_length_c                   15.162(7)
_cell_measurement_reflns_used    1181
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.70
_cell_volume                     891.6(7)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4080
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    0.064
_exptl_absorpt_correction_T_max  0.9880
_exptl_absorpt_correction_T_min  0.9855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.089
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             316
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.173
_refine_diff_density_min         -0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     103
_refine_ls_number_reflns         1643
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0782
_refine_ls_R_factor_gt           0.0511
_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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
_refine_ls_wR_factor_ref         0.1749
_reflns_number_gt                1114
_reflns_number_total             1643
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv5439sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        891.7(7)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2239060
_cod_database_fobs_code          2239060