4-[4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
Jian-Ming Gu; Yun-Wu Wang; Xiu-Rong Hu; Acta Crystallographica Section E 61 (2005) o2691–o2693; doi:10.1107/S1600536805023032

data_2206516
_publ_section_title
4-[4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl]-3-(hydroxymethyl)benzonitrile
_journal_coeditor_code           OB6553
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2691
_journal_page_last               o2693
_journal_paper_doi               10.1107/S1600536805023032
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C20 H23 F N2 O2'
_chemical_formula_moiety         'C20 H23 F N2 O2'
_chemical_formula_sum            'C20 H23 F N2 O2'
_chemical_formula_weight         342.41
_chemical_name_systematic
;
4-[4-Dimethylamino-1-(4-fluorophenyl)-1-hydroxybutyl]-3-
(hydroxymethyl)benzonitrile
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
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_cell_angle_beta                 96.0057(8)
_cell_angle_gamma                94.896(3)
_cell_formula_units_Z            4
_cell_length_a                   8.1512(5)
_cell_length_b                   12.4991(6)
_cell_length_c                   18.9280(10)
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_cell_measurement_temperature    295.0(10)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.2
_cell_volume                     1873.59(18)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2004)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  CrystalStructure
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9919
_diffrn_measured_fraction_theta_max 0.9858
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
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_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.947
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_exptl_crystal_size_max          0.41
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_refine_diff_density_max         0.39
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