(<i>E</i>)-1-(2,4-Dinitrobenzylidene)-2,2-diphenylhydrazine
Meléndrez-Luévano, Ruth; Cabrera-Vivas, Blanca M.; Flores-Alamo, Marcos; Ramirez, Juan C.; Conde-Sánchez, Pedro; Acta Crystallographica Section E 69 (2013) o1039–; doi:10.1107/S1600536813014360

data_2238131
_publ_section_title
;
 (<i>E</i>)-1-(2,4-Dinitrobenzylidene)-2,2-diphenylhydrazine
;
_journal_coeditor_code           BT6909
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1039
_journal_paper_doi               10.1107/S1600536813014360
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          'C19 H14 N4 O4'
_chemical_formula_moiety         'C19 H14 N4 O4'
_chemical_formula_sum            'C19 H14 N4 O4'
_chemical_formula_weight         362.34
_chemical_name_systematic
;
(<i>E</i>)- 1-(2,4-Dinitrobenzylidene)-2,2-diphenylhydrazine
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                91.878(5)
_cell_angle_beta                 93.431(6)
_cell_angle_gamma                91.548(6)
_cell_formula_units_Z            4
_cell_length_a                   7.0288(6)
_cell_length_b                   13.5001(7)
_cell_length_c                   17.9271(11)
_cell_measurement_reflns_used    4321
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.9999
_cell_measurement_theta_min      3.4106
_cell_volume                     1696.4(2)
_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) and Mercury (Macrae <i>et al.</i>, 2006)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 10.4685
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur (Atlas, Gemini)'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13303
_diffrn_reflns_theta_full        26.06
_diffrn_reflns_theta_max         26.06
_diffrn_reflns_theta_min         3.42
_exptl_absorpt_coefficient_mu    0.103
_exptl_absorpt_correction_T_max  0.988
_exptl_absorpt_correction_T_min  0.955
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2009)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.419
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             752
_exptl_crystal_size_max          0.5862
_exptl_crystal_size_mid          0.3754
_exptl_crystal_size_min          0.1214
_refine_diff_density_max         0.143
_refine_diff_density_min         -0.2
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6694
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0914
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0255P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0725
_refine_ls_wR_factor_ref         0.0794
_reflns_number_gt                3465
_reflns_number_total             6694
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt6909.cif
_cod_data_source_block           I
_cod_database_code               2238131
_cod_database_fobs_code          2238131