Information card for entry 2220429

Structure parameters

• Chemical name: 3-(2-Hydroxyethyl)-2-(<i>p</i>-tolylamino)quinazolin-4(3<i>H</i>)-one
• Formula: C17 H17 N3 O2
• Calculated formula: C17 H17 N3 O2
• SMILES: Cc1ccc(cc1)Nc1n(c(=O)c2c(cccc2)n1)CCO
• Title of publication: 3-(2-Hydroxyethyl)-2-(<i>p</i>-tolylamino)quinazolin-4(3<i>H</i>)-one
• Authors of publication: Zhang, Gui-Fu; Ma, Zuan; Yang, Xu-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o34 - o35
• a: 7.8589 ± 0.0002 Å
• b: 19.1706 ± 0.0005 Å
• c: 10.6696 ± 0.0003 Å
• α: 90°
• β: 111.082 ± 0.003°
• γ: 90°
• Cell volume: 1499.89 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes