(<i>E</i>)-<i>N</i>'-[(Furan-2-yl)methylene]-2-hydroxy-2,2-diphenylacetohydrazide monohydrate
Khanfar, Monther A.; Abu-Safieh, Kayed A.; Al-Far, Rawhi; Ali, Basem Fares; Maichle-Moessmer, Caecilia; Acta Crystallographica Section E 63 (2007) o4078–o4079; doi:10.1107/S1600536807044443

data_2215637
_publ_section_title
;(<i>E</i>)-<i>N</i>'-[(Furan-2-yl)methylene]-2-hydroxy-2,2-diphenylacetohydrazide
 monohydrate
;
_journal_coeditor_code           PV2031
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o4078
_journal_page_last               o4079
_journal_paper_doi               10.1107/S1600536807044443
_journal_volume                  63
_journal_year                    2007
_chemical_formula_moiety         'C19 H16 N2 O3, H2 O'
_chemical_formula_sum            'C19 H18 N2 O4'
_chemical_formula_weight         338.35
_chemical_name_systematic
;(E)-N'-[(furan-2-yl)methylene]-2-hydroxy-2,2- diphenylacetohydrazide
 monohydrate
;
_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                 91.819(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6339(17)
_cell_length_b                   10.857(2)
_cell_length_c                   14.5207(12)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.35
_cell_measurement_theta_min      2.058
_cell_volume                     1675.6(4)
_computing_cell_refinement       'SET4 and CELDIM (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 (Enraf--Nonius, 1994)'
_computing_data_reduction        'HELENA (Spek, 1996) and PLATON (Spek, 2003)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'XCIF in SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Enraf--Nonius CAD-4'
_diffrn_measurement_method       '\w scans'
_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  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0758
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            3847
_diffrn_reflns_theta_full        26.05
_diffrn_reflns_theta_max         26.05
_diffrn_reflns_theta_min         3.06
_diffrn_standards_decay_%        3.0
_diffrn_standards_interval_count 400
_diffrn_standards_interval_time  3600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.98462
_exptl_absorpt_correction_T_min  0.936988
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(program; reference?)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.341
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             712
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.172
_refine_diff_density_min         -0.200
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         3293
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.1153
_refine_ls_R_factor_gt           0.0493
_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^)+(0.0534P)^2^+0.0604P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1230
_reflns_number_gt                1981
_reflns_number_total             3293
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            pv2031.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2215637
_cod_database_fobs_code          2215637