Information card for entry 2236320

Structure parameters

• Common name: 2'-Acetonaphthone
• Chemical name: 1-(Naphthalen-2-yl)ethanone
• Formula: C12 H10 O
• Calculated formula: C12 H10 O
• SMILES: O=C(c1cc2c(cc1)cccc2)C
• Title of publication: 2'-Acetonaphthone
• Authors of publication: Shotonwa, Ibukun O.; Boeré, René T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3112
• a: 5.9875 ± 0.0005 Å
• b: 7.4025 ± 0.0007 Å
• c: 20.2778 ± 0.0018 Å
• α: 90°
• β: 93.747 ± 0.001°
• γ: 90°
• Cell volume: 896.84 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes