Information card for entry 2311159

Structure parameters

• Chemical name: 2-(1,3-Benzodioxol-5-yl)-3-phenylquinazolin-4(3<i>H</i>)-one
• Formula: C21 H14 N2 O3
• Calculated formula: C21 H14 N2 O3
• SMILES: O=c1n(c(nc2c1cccc2)c1ccc2OCOc2c1)c1ccccc1
• Title of publication: 2-(1,3-Benzodioxol-5-yl)-3-phenyl-quinazolin-4(3H)-one.
• Authors of publication: Chandra, ?; Raghavendra, G. M.; Jeyaseelan, S.; Mantelingu, K.; Mahendra, M.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 7
• Pages of publication: o1113
• a: 8.984 ± 0.004 Å
• b: 6.056 ± 0.003 Å
• c: 15.248 ± 0.006 Å
• α: 90°
• β: 95.357 ± 0.006°
• γ: 90°
• Cell volume: 826 ± 0.6 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No