2-[(<i>E</i>)-2-Hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol
Karadağ, Aslı Tosyalı; Atalay, Şehriman; Genç, Hasan; Acta Crystallographica Section E 67 (2011) o95–; doi:10.1107/S1600536810050579

data_2228930
_publ_section_title
;
 2-[(<i>E</i>)-2-Hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol
;
_journal_coeditor_code           ZQ2072
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o95
_journal_paper_doi               10.1107/S1600536810050579
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          'C15 H12 F3 N O3'
_chemical_formula_moiety         'C15 H12 F3 N O3'
_chemical_formula_sum            'C15 H12 F3 N O3'
_chemical_formula_weight         311.26
_chemical_name_systematic
;
2-[(<i>E</i>)-2-Hydroxy-5-(trifluoromethoxy)benzylideneamino]-4-methylphenol
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                82.171(6)
_cell_angle_beta                 88.034(6)
_cell_angle_gamma                85.622(6)
_cell_formula_units_Z            2
_cell_length_a                   6.4730(5)
_cell_length_b                   8.4435(6)
_cell_length_c                   13.0369(9)
_cell_measurement_reflns_used    7349
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.91
_cell_measurement_theta_min      1.58
_cell_volume                     703.62(9)
_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) and PLATON (Spek, 2009)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(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 IPDS 2'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_k_max       10
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_diffrn_reflns_theta_max         26.00
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_exptl_absorpt_correction_T_max  0.995
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_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED32; Stoe & Cie, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             320
_exptl_crystal_size_max          0.580
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_refine_ls_number_reflns         2762
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_refine_ls_R_factor_all          0.1311
_refine_ls_R_factor_gt           0.0476
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0202P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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