Information card for entry 2235072

Structure parameters

• Chemical name: 6-Chloro-1-({[(2<i>E</i>)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)- 1,2,3,4-tetrahydroquinazoline-2,4-dione
• Formula: C19 H17 Cl N2 O3
• Calculated formula: C19 H17 Cl N2 O3
• SMILES: Clc1ccc2N(C(=O)NC(=O)c2c1)COC/C(=C/c1ccccc1)C
• Title of publication: 6-Chloro-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: o1770 - o1771
• a: 7.6179 ± 0.0003 Å
• b: 9.8168 ± 0.0004 Å
• c: 11.7009 ± 0.0006 Å
• α: 73.937 ± 0.004°
• β: 83.651 ± 0.003°
• γ: 80.942 ± 0.003°
• Cell volume: 828.31 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes