Information card for entry 2009970

Structure parameters

• Chemical name: 1-(3-Benzoylphenyl)ethanone
• Formula: C15 H12 O2
• Calculated formula: C15 H12 O2
• SMILES: O=C(c1cccc(c1)C(=O)C)c1ccccc1
• Title of publication: 1-(3-Benzoylphenyl)ethanone (I) and 3-benzoyl-α-methylbenzeneacetamide methylene chloride solvate (2/1) (II)
• Authors of publication: Dijana Matak; Mladen Vinković; Miljenko Dumić
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 8
• Pages of publication: 1339 - 1342
• a: 10.681 ± 0.001 Å
• b: 10.509 ± 0.001 Å
• c: 11.157 ± 0.001 Å
• α: 90°
• β: 107.38 ± 0.01°
• γ: 90°
• Cell volume: 1195.2 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.07
• Goodness-of-fit parameter for significantly intense reflections: 0.305
• Diffraction radiation wavelength: 1.542 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No