Information card for entry 2205733

Structure parameters

• Chemical name: 10-(5-chloro-2-hydroxybenzylidene)anthrone acetonitrile solvate
• Formula: C23 H16 Cl N O2
• Calculated formula: C23 H16 Cl N O2
• SMILES: Clc1ccc(O)c(C=C2c3ccccc3C(=O)c3ccccc23)c1.N#CC
• Title of publication: 10-(5-Chloro-2-hydroxybenzylidene)anthrone acetonitrile solvate
• Authors of publication: Wei Zhou; Jie Yan; Wei-Xiao Hu; Chun-Nian Xia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1523 - o1524
• a: 7.602 ± 0.002 Å
• b: 23.09 ± 0.006 Å
• c: 10.711 ± 0.003 Å
• α: 90°
• β: 92.05 ± 0.02°
• γ: 90°
• Cell volume: 1878.9 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.1998
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes