(<i>E</i>)-1-(3,4-Dimethylbenzylidene)-2,2-diphenylhydrazine
Mendoza, Angel; Cabrera-Vivas, Blanca M.; Meléndrez-Luevano, Ruth; Ramírez, Juan C.; Flores-Alamo, Marcos; Acta Crystallographica Section E 67 (2011) o1287–; doi:10.1107/S1600536811015352

data_2230234
_publ_section_title
;
 (<i>E</i>)-1-(3,4-Dimethylbenzylidene)-2,2-diphenylhydrazine
;
_journal_coeditor_code           BT5512
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1287
_journal_paper_doi               10.1107/S1600536811015352
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C21 H20 N2'
_chemical_formula_moiety         'C21 H20 N2'
_chemical_formula_sum            'C21 H20 N2'
_chemical_formula_weight         300.39
_chemical_name_systematic
;
(<i>E</i>)-1-(3,4-Dimethylbenzylidene)-2,2-diphenylhydrazine
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                77.530(4)
_cell_angle_beta                 76.480(4)
_cell_angle_gamma                77.074(4)
_cell_formula_units_Z            4
_cell_length_a                   9.9375(5)
_cell_length_b                   10.6322(5)
_cell_length_c                   17.5680(8)
_cell_measurement_reflns_used    3720
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.2369
_cell_measurement_theta_min      3.4266
_cell_volume                     1732.60(15)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2009)
;
_computing_data_collection
;
CrysAlis CCD (Oxford Diffraction, 2009)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2009)
;
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur Atlas Gemini'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0272
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12246
_diffrn_reflns_theta_full        25.29
_diffrn_reflns_theta_max         25.29
_diffrn_reflns_theta_min         3.43
_exptl_absorpt_coefficient_mu    0.068
_exptl_absorpt_correction_T_max  0.984
_exptl_absorpt_correction_T_min  0.971
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2009)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.152
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.6134
_exptl_crystal_size_mid          0.4151
_exptl_crystal_size_min          0.267
_refine_diff_density_max         0.153
_refine_diff_density_min         -0.113
_refine_ls_extinction_coef       0.0220(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   0.845
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     420
_refine_ls_number_reflns         6288
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.845
_refine_ls_R_factor_all          0.0949
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0496P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0871
_refine_ls_wR_factor_ref         0.1004
_reflns_number_gt                3202
_reflns_number_total             6288
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            bt5512.cif
_cod_data_source_block           I
_cod_original_cell_volume        1732.60(14)
_cod_database_code               2230234
_cod_database_fobs_code          2230234