Information card for entry 2211751

Structure parameters

• Chemical name: (2E)-2-(1-Methylpiperidin-2-ylidene)-1-phenylethanone
• Formula: C14 H17 N O
• Calculated formula: C14 H17 N O
• SMILES: CN1CCCC/C1=C\C(=O)c1ccccc1
• Title of publication: (2<i>E</i>)-2-(1-Methylpiperidin-2-ylidene)-1-phenylethanone
• Authors of publication: Lemmerer, Andreas; Michael, Joseph P.; Pienaar, Daniel P.; Sannasy, Desigan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o98 - o99
• a: 8.006 ± 0.002 Å
• b: 9.441 ± 0.003 Å
• c: 15.535 ± 0.004 Å
• α: 90°
• β: 95.197 ± 0.006°
• γ: 90°
• Cell volume: 1169.4 ± 0.6 ų
• Cell temperature: 173 ± 2 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 significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.1992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes