Information card for entry 2204665

Structure parameters

• Chemical name: 6-Chloro-3-(4-chlorophenyl)-3,4-dihydroquinazolin-2(1H)-one‒acetone (2/1)
• Formula: C15.5 H13 Cl2 N2 O1.5
• Calculated formula: C15.5 H13 Cl2 N2 O1.5
• Title of publication: 6-Chloro-3-(4-chlorophenyl)-3,4-dihydroquinazolin-2(1<i>H</i>)-one acetone hemisolvate
• Authors of publication: Da-Qing Shi; Zheng-Yi Li; Chunl-Ling Shi; Xiang-Shan Wang; Yong Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2465 - o2467
• a: 5.806 ± 0.0018 Å
• b: 13.25 ± 0.004 Å
• c: 18.81 ± 0.006 Å
• α: 90°
• β: 90.802 ± 0.007°
• γ: 90°
• Cell volume: 1446.9 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0517
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes