(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide
Usha, M. K.; Madan Kumar, S.; Nitinchandra; Kalluraya, B.; Lokanath, N. K.; Revannasiddaiah, D.; Acta Crystallographica Section E 70 (2014) o140–; doi:10.1107/S1600536813034879

data_2240704
_publ_section_title
;
 (<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide
;
_journal_coeditor_code           XU5759
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o140
_journal_paper_doi               10.1107/S1600536813034879
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          'C18 H21 N3 O2'
_chemical_formula_moiety         'C18 H21 N3 O2'
_chemical_formula_sum            'C18 H21 N3 O2'
_chemical_formula_weight         311.38
_chemical_name_systematic
(<i>E</i>)-<i>N</i>'-[4-(Dimethylamino)benzylidene]-2-(4-methylphenoxy)acetohydrazide
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 100.868(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2237(6)
_cell_length_b                   9.4471(5)
_cell_length_c                   15.8785(9)
_cell_measurement_reflns_used    2725
_cell_measurement_temperature    296
_cell_measurement_theta_max      64.7
_cell_measurement_theta_min      4.0
_cell_volume                     1653.42(16)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX2 (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 10.7
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker X8 Proteum'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Helios multilayer optics'
_diffrn_radiation_source         'Bruker MicroStar microfocus rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0690
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13214
_diffrn_reflns_theta_full        64.66
_diffrn_reflns_theta_max         64.66
_diffrn_reflns_theta_min         4.01
_exptl_absorpt_coefficient_mu    0.667
_exptl_absorpt_correction_T_max  0.873
_exptl_absorpt_correction_T_min  0.862
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2013)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.230
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.210
_refine_diff_density_max         0.428
_refine_diff_density_min         -0.426
_refine_ls_extinction_coef       0.0102(18)
_refine_ls_extinction_expression FC^*^=KFC[1+0.001XFC^2^\L^3^/SIN(2\Q)]^-1/4^
_refine_ls_extinction_method     shelxl
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     211
_refine_ls_number_reflns         2725
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0816
_refine_ls_R_factor_gt           0.0753
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1529P)^2^+0.2569P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2007
_refine_ls_wR_factor_ref         0.2110
_reflns_number_gt                2318
_reflns_number_total             2725
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5759sup1.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2240704
_cod_database_fobs_code          2240704