(<i>Z</i>)-1,2-Diphenyl-2-(phenylhydrazono)ethanone
Abdelaziz Bouchama; Abderrahmen Bendaâs; Sofiane Bouacida; Messaoud Yahiaoui; Patricia Benard-Rocherulle; Amel Djedouani; Acta Crystallographica Section E 63 (2007) o1990–o1992; doi:10.1107/S1600536807012901

data_2212825
_publ_section_title
;
 (<i>Z</i>)-1,2-Diphenyl-2-(phenylhydrazono)ethanone
;
_journal_coeditor_code           CI2315
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1990
_journal_page_last               o1992
_journal_paper_doi               10.1107/S1600536807012901
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C20 H16 N2 O'
_chemical_formula_moiety         'C20 H16 N2 O'
_chemical_formula_structural     'C20 H16 N2 O'
_chemical_formula_sum            'C20 H16 N2 O'
_chemical_formula_weight         300.35
_chemical_name_systematic
;
(Z)-1,2-Diphenyl-2-(phenylhydrazono)ethanone
;
_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                107.199(7)
_cell_angle_beta                 94.809(8)
_cell_angle_gamma                107.535(7)
_cell_formula_units_Z            4
_cell_length_a                   11.739(2)
_cell_length_b                   12.107(2)
_cell_length_c                   12.521(2)
_cell_measurement_reflns_used    9755
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.78
_cell_measurement_theta_min      2.28
_cell_volume                     1591.5(5)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2003)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia,1997) and DIAMOND (Brandenburg & Berndt, 2001)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>,  2003)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            30595
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.73
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.078
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.254
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.166
_refine_diff_density_min         -0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     421
_refine_ls_number_reflns         7219
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0391
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0293P)^2^+1.3984P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0951
_refine_ls_wR_factor_ref         0.1074
_reflns_number_gt                5015
_reflns_number_total             7219
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2315.cif
_cod_data_source_block           I
_cod_database_code               2212825
_cod_database_fobs_code          2212825