Information card for entry 2235071

Structure parameters

• Chemical name: 6-Methyl-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)- 1,2,3,4-tetrahydroquinazoline-2,4-dione
• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• SMILES: O=C1NC(=O)N(c2ccc(cc12)C)COC/C(=C/c1ccccc1)C
• Title of publication: 6-Methyl-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
• Authors of publication: El-Brollosy, Nasser R.; Attia, Mohamed I.; El-Emam, Ali A.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1768 - o1769
• a: 16.2352 ± 0.0008 Å
• b: 13.6934 ± 0.0006 Å
• c: 7.89 ± 0.0004 Å
• α: 90°
• β: 102.606 ± 0.005°
• γ: 90°
• Cell volume: 1711.78 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes