Information card for entry 2103733

Structure parameters

• Chemical name: 2-dimethylaminocyclohexanone oxime
• Formula: C8 H16 N2 O
• Calculated formula: C8 H16 N2 O
• SMILES: O/N=C1\CCCCC1N(C)C
• Title of publication: Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime
• Authors of publication: Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 705 - 713
• a: 12.5662 ± 0.0006 Å
• b: 10.1714 ± 0.0006 Å
• c: 14.3863 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1838.8 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections: 1.031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No