1-{(<i>E</i>)-[5-(2-Nitrophenyl)furan-2-yl]methylidene}-2,2-diphenylhydrazine
Flores-Alamo, Marcos; Cabrera-Vivas, Blanca M.; Meléndrez-Luevano, Ruth; Hernández P., Julio M.; Ruiz-Azuara, Lena; Acta Crystallographica Section E 69 (2013) o90–; doi:10.1107/S1600536812050246

data_2237256
_publ_section_title
;
 1-{(<i>E</i>)-[5-(2-Nitrophenyl)furan-2-yl]methylidene}-2,2-diphenylhydrazine
;
_journal_coeditor_code           XU5663
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o90
_journal_paper_doi               10.1107/S1600536812050246
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C23 H17 N3 O3'
_chemical_formula_moiety         'C23 H17 N3 O3'
_chemical_formula_sum            'C23 H17 N3 O3'
_chemical_formula_weight         383.4
_chemical_name_systematic
;
1-{(<i>E</i>)-[5-(2-Nitrophenyl)furan-2-yl]methylidene}-2,2-diphenylhydrazine
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 105.778(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.2439(2)
_cell_length_b                   17.3325(4)
_cell_length_c                   19.7575(4)
_cell_measurement_reflns_used    7112
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      67.9932
_cell_measurement_theta_min      4.6476
_cell_volume                     3705.36(14)
_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, 2012)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      130(2)
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur (Atlas, Gemini)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0246
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12881
_diffrn_reflns_theta_full        68.11
_diffrn_reflns_theta_max         68.11
_diffrn_reflns_theta_min         4.65
_exptl_absorpt_coefficient_mu    0.758
_exptl_absorpt_correction_T_max  0.892
_exptl_absorpt_correction_T_min  0.759
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
(CrysAlis RED; Oxford Diffraction, 2009)
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1600
_exptl_crystal_size_max          0.5801
_exptl_crystal_size_mid          0.2338
_exptl_crystal_size_min          0.1629
_refine_diff_density_max         0.145
_refine_diff_density_min         -0.226
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3395
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0507P)^2^+2.4695P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0934
_refine_ls_wR_factor_ref         0.0969
_reflns_number_gt                3070
_reflns_number_total             3395
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5663.cif
_cod_data_source_block           I
_cod_original_cell_volume        3705.36(13)
_cod_database_code               2237256
_cod_database_fobs_code          2237256