Information card for entry 2239424

Structure parameters

• Chemical name: 3-Anilino-5,5-dimethylcyclohex-2-enone
• Formula: C14 H17 N O
• Calculated formula: C14 H17 N O
• SMILES: O=C1C=C(CC(C1)(C)C)Nc1ccccc1
• Title of publication: 3-Anilino-5,5-dimethylcyclohex-2-enone
• Authors of publication: Boulebd, Houssem; Bouraiou, Abdelmalek; Bouacida, Sofiane; Merazig, Hocine; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o233 - o234
• a: 10.1766 ± 0.0019 Å
• b: 13.159 ± 0.002 Å
• c: 9.2877 ± 0.0017 Å
• α: 90°
• β: 104.062 ± 0.007°
• γ: 90°
• Cell volume: 1206.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes