Benzophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime, Formed by 4-Substitution of Pentafluoropyridine by Benzophenone Oximate
Banks, R. E.; Jondi, W. J.; Pritchard, R. G.; Tipping, A. E.; Acta Crystallographica, Section C: Crystal Structure Communications 51 (1995) 291–293; doi:10.1107/s0108270194009121

data_2003207
_publ_section_title
;
 Benzophenone O-4-(2,3,5,6-Tetrafluoro)pyridyloxime, Formed by
 4-Substitution of Pentafluoropyridine by Benzophenone Oximate
;
_journal_coden_ASTM              ACSCEE
_journal_issue                   2
_journal_name_full
;
 Acta Crystallographica, Section C: Crystal Structure Communications
;
_journal_page_first              291
_journal_page_last               293
_journal_paper_doi               10.1107/s0108270194009121
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         ' C18 H10 F4 N2 O1 '
_chemical_formula_structural     ' C18 H10 F4 N2 O1 '
_chemical_formula_sum            'C18 H10 F4 N2 O'
_chemical_formula_weight         346.28
_chemical_melting_point          326.0(10)
_chemical_name_systematic
;
 4-(Diphenylmethylimino-oxy)tetrafluoropyridine
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                73.42(1)
_cell_angle_beta                 76.34(3)
_cell_angle_gamma                84.92(2)
_cell_formula_units_Z            4
_cell_length_a                   5.603(2)
_cell_length_b                   23.641(4)
_cell_length_c                   12.643(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    286
_cell_measurement_theta_max      12.78
_cell_measurement_theta_min      9.53
_cell_volume                     1559(1)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
; MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN PROCESS (Molecular Structure Corporation, 1985)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material
;TEXSAN FINISH (Molecular Structure Corporation, 1985).
Literature survey: CSSR (1984)
;
_computing_structure_refinement
'TEXSAN LS (Molecular Structure Corporation, 1985)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      296
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0167
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            4950
_diffrn_reflns_theta_max         24.0
_diffrn_reflns_theta_min         2
_diffrn_standards_decay_%        'not significant'
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.1194
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.475
_exptl_crystal_description       plate
_exptl_crystal_F_000             704.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.22
_refine_diff_density_min         -0.167
_refine_ls_goodness_of_fit_obs   2.320
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     531
_refine_ls_number_reflns         2663
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.037
_refine_ls_shift/esd_max         0.008
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      'sigma; w = 1/[\s^2^(F) + 0.00023F^2^]'
_refine_ls_wR_factor_obs         0.025
_reflns_number_observed          2663
_reflns_number_total             4848
_reflns_observed_criterion       I>3\s(I)
_cod_duplicate_entry             2010477
_cod_data_source_file            li1121.cif
_cod_data_source_block           U126W
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '325-327 K' was changed to
'326.0(10)' - the average value was taken and precision was
estimated.

Automatic conversion script
Id: cif_fix_values 4609 2016-04-01 06:22:49Z antanas 
;
_cod_original_formula_sum        'C18 H10 F4 N2 O1'
_cod_database_code               2003207