Information card for entry 2240991

Structure parameters

• Chemical name: 3-Amino-2-ethylquinazolin-4(3<i>H</i>)-one
• Formula: C10 H11 N3 O
• Calculated formula: C10 H11 N3 O
• SMILES: c1(CC)n(c(=O)c2c(cccc2)n1)N
• Title of publication: Crystal structure of 3-amino-2-ethylquinazolin-4(3<i>H</i>)-one
• Authors of publication: El-Hiti, Gamal A.; Smith, Keith; Hegazy, Amany S.; Baashen, Mohammed; Kariuki, Benson M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o650 - o651
• a: 7.023 ± 0.0005 Å
• b: 7.6198 ± 0.0007 Å
• c: 9.7868 ± 0.0006 Å
• α: 69.709 ± 0.007°
• β: 89.242 ± 0.005°
• γ: 75.191 ± 0.007°
• Cell volume: 473.27 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes