(<i>E</i>)-<i>N</i>'-(3,3-Dimethyl-2,6-diphenylpiperidin-4-ylidene)isonicotinohydrazide
Sankar, C.; Pandiarajan, K.; Thiruvalluvar, A.; Gayathri, P.; Acta Crystallographica Section E 66 (2010) o2841–; doi:10.1107/S1600536810040936

data_2227613
_publ_section_title
;
 (<i>E</i>)-<i>N</i>'-(3,3-Dimethyl-2,6-diphenylpiperidin-4-ylidene)isonicotinohydrazide
;
_journal_coeditor_code           HG2726
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2841
_journal_paper_doi               10.1107/S1600536810040936
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'C25 H26 N4 O'
_chemical_formula_moiety         'C25 H26 N4 O'
_chemical_formula_structural     'C25 H26 N4 O'
_chemical_formula_sum            'C25 H26 N4 O'
_chemical_formula_weight         398.50
_chemical_melting_point          490
_chemical_name_common            piperidine
_chemical_name_systematic
(<i>E</i>)-<i>N</i>'-(3,3-dimethyl-2,6-diphenylpiperidin-4-ylidene)isonicotinohydrazide
_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
_cell_angle_alpha                65.2930(10)
_cell_angle_beta                 78.8230(10)
_cell_angle_gamma                86.9480(10)
_cell_formula_units_Z            2
_cell_length_a                   6.21280(10)
_cell_length_b                   12.8346(3)
_cell_length_c                   15.0022(3)
_cell_measurement_reflns_used    9908
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      1.78
_cell_volume                     1065.62(4)
_computing_cell_refinement       'SAINT-NT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-NT (Bruker, 2004)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD diffractometer'
_diffrn_measurement_method       '\w and \f scan'
_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  0.0232
_diffrn_reflns_av_sigmaI/netI    0.0205
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            25613
_diffrn_reflns_theta_full        28.61
_diffrn_reflns_theta_max         28.61
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.855902
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             424
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.189
_refine_diff_density_min         -0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         5420
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0671
_refine_ls_R_factor_gt           0.0436
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0566P)^2^+0.2037P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1101
_refine_ls_wR_factor_ref         0.1279
_reflns_number_gt                3821
_reflns_number_total             5420
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg2726.cif
_cod_data_source_block           I
_cod_database_code               2227613
_cod_database_fobs_code          2227613