Information card for entry 2206059

Structure parameters

• Common name: Salicylideneacetone
• Chemical name: (E)-4-(2-hydroxyphenyl)but-3-en-2-one
• Formula: C10 H10 O2
• Calculated formula: C10 H10 O2
• SMILES: O=C(/C=C/c1c(O)cccc1)C
• Title of publication: Salicylideneacetone
• Authors of publication: Wang, Shi-Fan; Shi, Da-Hua; Zhu, Yan; Zhu, Hai-Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1697 - o1698
• a: 7.35 ± 0.0015 Å
• b: 7.49 ± 0.0015 Å
• c: 8.81 ± 0.0018 Å
• α: 97.05 ± 0.03°
• β: 95.86 ± 0.03°
• γ: 115.34 ± 0.03°
• Cell volume: 428.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes