(<i>E</i>)-1-[(2-Fluorophenyl)iminomethyl]-2-naphthol–(<i>Z</i>)-1-[(2-fluorophenyl)aminomethylidene]naphthalen-2(1<i>H</i>)-one (0.57/0.43)
Alpaslan, Gökhan; Macit, Mustafa; Büyükgüngör, Orhan; Erdönmez, Ahmet; Acta Crystallographica Section E 66 (2010) o1178–; doi:10.1107/S1600536810014777

data_2225812
_publ_section_title
;
 (<i>E</i>)-1-[(2-Fluorophenyl)iminomethyl]-2-naphthol--(<i>Z</i>)-1-[(2-fluorophenyl)aminomethylidene]naphthalen-2(1<i>H</i>)-one
 (0.57/0.43)
;
_journal_coeditor_code           CI5080
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1178
_journal_paper_doi               10.1107/S1600536810014777
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '0.57C17 H12 F N O, 0.43C17 H12 F N O'
_chemical_formula_moiety         '0.57(C17 H12 F N O), 0.43(C17 H12 F N O)'
_chemical_formula_sum            'C17 H12 F N O'
_chemical_formula_weight         265.28
_chemical_name_systematic
;
(<i>E</i>)-1-[(2-Fluorophenyl)iminomethyl]-2-naphthol--(<i>Z</i>)-1-
[(2-fluorophenyl)aminomethylidene]naphthalen-2(1<i>H</i>)-one (0.57/0.43)
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.2841(3)
_cell_length_b                   12.2158(6)
_cell_length_c                   14.5731(7)
_cell_measurement_reflns_used    4776
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.77
_cell_measurement_theta_min      1.40
_cell_volume                     1296.73(10)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED32 (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Stoe IPDSII'
_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  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            5655
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.18
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.095
_exptl_absorpt_correction_T_max  0.9933
_exptl_absorpt_correction_T_min  0.9666
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             552
_exptl_crystal_size_max          0.73
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.231
_refine_diff_density_min         -0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.970
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         1477
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.970
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0576P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                951
_reflns_number_total             1477
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci5080.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2225812
_cod_database_fobs_code          2225812