7-Diethylamino-3-dimethylamino-2<i>H</i>-1-benzopyran-2-one
Takahashi, Hajime; Takechi, Haruko; Kubo, Kanji; Matsumoto, Taisuke; Acta Crystallographica Section E 61 (2005) o3041–o3043; doi:10.1107/S1600536805026607

data_2206681
_publ_section_title
;
 7-Diethylamino-3-dimethylamino-2<i>H</i>-1-benzopyran-2-one
;
_journal_coeditor_code           DN6246
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o3041
_journal_page_last               o3043
_journal_paper_doi               10.1107/S1600536805026607
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'C15 H20 N2 O2'
_chemical_formula_moiety         'C15 H20 N2 O2'
_chemical_formula_sum            'C15 H20 N2 O2'
_chemical_formula_weight         260.34
_chemical_name_systematic
;
7-Diethylamino-3-dimethylamino-2H-1-benzopyran-2-one
;
_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'
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_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   6.596(3)
_cell_length_b                   14.360(6)
_cell_length_c                   14.549(6)
_cell_measurement_reflns_used    4379
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1378.1(10)
_computing_cell_refinement       'Crystal Clear'
_computing_data_collection       'Crystal Clear (Rigaku, 1999)'
_computing_data_reduction        'Crystal Structure (Rigaku/MSC & Rigaku, 2004)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996) and ORTEPIII 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 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
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_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_T_max  0.992
_exptl_absorpt_correction_T_min  0.987
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
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_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
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_refine_ls_structure_factor_coef Fsqd
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