(<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-2-phenoxyacetohydrazide–2,2'-(1,1'-azinodiethylidyne)diphenol (2/1)
Tang, Yan-Ru; Acta Crystallographica Section E 67 (2011) o1819–; doi:10.1107/S1600536811023956

data_2230772
_publ_section_title
;
 (<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-2-phenoxyacetohydrazide--2,2'-(1,1'-azinodiethylidyne)diphenol
 (2/1)
;
_journal_coeditor_code           LD2015
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1819
_journal_paper_doi               10.1107/S1600536811023956
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C48 H48 N6 O8'
_chemical_formula_moiety         'C48 H48 N6 O8'
_chemical_formula_sum            'C48 H48 N6 O8'
_chemical_formula_weight         836.92
_chemical_name_systematic
;
(<i>E</i>)-<i>N</i>'-[1-(2-Hydroxyphenyl)ethylidene]-2-phenoxyacetohydrazide--
2,2'-(1,1'-azinodiethylidyne)diphenol (2/1)
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 106.156(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.416(5)
_cell_length_b                   19.322(6)
_cell_length_c                   9.225(4)
_cell_measurement_reflns_used    20942
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.12
_cell_volume                     2125.7(14)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND  (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0723
_diffrn_reflns_av_sigmaI/netI    0.0656
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            20592
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    0.090
_exptl_absorpt_correction_T_max  0.9884
_exptl_absorpt_correction_T_min  0.9839
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.308
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             884
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.155
_refine_diff_density_min         -0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4828
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1425
_refine_ls_R_factor_gt           0.0682
_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^)+(0.0615P)^2^+0.3180P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1308
_refine_ls_wR_factor_ref         0.1560
_reflns_number_gt                2586
_reflns_number_total             4828
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ld2015.cif
_cod_data_source_block           I
_cod_original_cell_volume        2125.8(15)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2230772
_cod_database_fobs_code          2230772