Information card for entry 2214595

Structure parameters

• Chemical name: 1-(Quinolin-2-yl)ethanone
• Formula: C11 H9 N O
• Calculated formula: C11 H9 N O
• SMILES: O=C(c1nc2c(cc1)cccc2)C
• Title of publication: 1-(Quinolin-2-yl)ethanone
• Authors of publication: Butcher, Ray J.; Jasinski, Jerry P.; Mayekar, Anil N.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3603 - o3603
• a: 10.3292 ± 0.0004 Å
• b: 24.1165 ± 0.0009 Å
• c: 15.0923 ± 0.0005 Å
• α: 90°
• β: 109.782 ± 0.001°
• γ: 90°
• Cell volume: 3537.7 ± 0.2 ų
• Cell temperature: 203 K
• Ambient diffraction temperature: 203 K
• Number of distinct elements: 4
• 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: 0.1566
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes