3-[(1-Benzylamino)ethylidene]-2<i>H</i>-chromene-2,4(3<i>H</i>)-dione
Małecka, Magdalena; Budzisz, Elżbieta; Acta Crystallographica Section E 62 (2006) o5058–o5060; doi:10.1107/S1600536806041511

data_2211052
_publ_section_title
;
 3-[(1-Benzylamino)ethylidene]-2<i>H</i>-chromene-2,4(3<i>H</i>)-dione
;
_journal_coeditor_code           HK2133
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o5058
_journal_page_last               o5060
_journal_paper_doi               10.1107/S1600536806041511
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          'C18 H15 N O3'
_chemical_formula_moiety         'C18 H15 N O3'
_chemical_formula_sum            'C18 H15 N O3'
_chemical_formula_weight         293.32
_chemical_name_systematic
;
3-[(1-Benzylamino)ethylidene]-2H-chromene-2,4(3H)-dione
;
_space_group_IT_number           2
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                81.60(2)
_cell_angle_beta                 85.35(2)
_cell_angle_gamma                66.75(2)
_cell_formula_units_Z            2
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_cell_length_b                   9.403(2)
_cell_length_c                   9.871(2)
_cell_measurement_reflns_used    894
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.2
_cell_measurement_theta_min      2.7
_cell_volume                     707.2(3)
_computing_cell_refinement       'WIN-CELL in X-AREA'
_computing_data_collection       'WIN-XPOSE in X-AREA (Stoe & Cie, 2000)'
_computing_data_reduction        'WIN-INTEGRATE in X-AREA'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PARST97 (Nardelli, 1996)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_detector_area_resol_mean 150
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Stoe IPDS-II'
_diffrn_measurement_method       \f
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_theta_max         26.25
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_exptl_absorpt_coefficient_mu    0.094
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.065P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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