Information card for entry 2223174

Structure parameters

• Chemical name: 2-(2-Chlorophenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one
• Formula: C14 H11 Cl N2 O
• Calculated formula: C14 H11 Cl N2 O
• SMILES: Clc1c(C2Nc3c(C(=O)N2)cccc3)cccc1
• Title of publication: 2-(2-Chlorophenyl)-2,3-dihydroquinazolin-4(1<i>H</i>)-one
• Authors of publication: Li, Ming-Jian; Feng, Chang-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2145
• a: 6.99 ± 0.0001 Å
• b: 8.7488 ± 0.0002 Å
• c: 10.4756 ± 0.0002 Å
• α: 100.639 ± 0.001°
• β: 92.726 ± 0.001°
• γ: 101.786 ± 0.001°
• Cell volume: 613.91 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0796
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes