(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-4-methylbenzohydrazide methanol monosolvate
Liu, Huanyu; Cai, Yanchun; Wu, Jianyong; Li, Zhuolin; Li, Guanwen; Acta Crystallographica Section E 67 (2011) o2139–; doi:10.1107/S1600536811029394

data_2231133
_publ_section_title
;
 (<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-4-methylbenzohydrazide
 methanol monosolvate
;
_journal_coeditor_code           HB6324
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2139
_journal_paper_doi               10.1107/S1600536811029394
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C17 H19 N3 O, C H4 O'
_chemical_formula_moiety         'C17 H19 N3 O, C H4 O'
_chemical_formula_sum            'C18 H23 N3 O2'
_chemical_formula_weight         313.39
_chemical_name_systematic
;
(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-4-methylbenzohydrazide
methanol monosolvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                78.830(3)
_cell_angle_beta                 77.138(3)
_cell_angle_gamma                84.807(3)
_cell_formula_units_Z            2
_cell_length_a                   6.3874(18)
_cell_length_b                   11.724(3)
_cell_length_c                   11.975(3)
_cell_measurement_reflns_used    744
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.9
_cell_measurement_theta_min      2.6
_cell_volume                     856.6(4)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       \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  0.0299
_diffrn_reflns_av_sigmaI/netI    0.0679
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5975
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.72
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_T_max  0.990
_exptl_absorpt_correction_T_min  0.984
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             336
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.157
_refine_diff_density_min         -0.190
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     216
_refine_ls_number_reflns         3613
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1302
_refine_ls_R_factor_gt           0.0595
_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^)+(0.0667P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1346
_refine_ls_wR_factor_ref         0.1690
_reflns_number_gt                1755
_reflns_number_total             3613
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6324.cif
_cod_data_source_block           I
_cod_original_cell_volume        856.7(4)
_cod_database_code               2231133
_cod_database_fobs_code          2231133