Information card for entry 2232138

Structure parameters

• Common name: 2,6,6-trimethylcyclohexene-1-carbaldehyde oxime
• Chemical name: 2,6,6-Trimethylcyclohexene-1-carbaldehyde oxime
• Formula: C10 H17 N O
• Calculated formula: C10 H17 N O
• SMILES: O/N=C/C1=C(CCCC1(C)C)C
• Title of publication: 2,6,6-Trimethylcyclohexene-1-carbaldehyde oxime
• Authors of publication: Parthasarathy, Rajasekaran; Jenniefer, Samson Jegan; Muthiah, Packianathan Thomas; Sulochana, Nagarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2732
• a: 7.567 ± 0.0003 Å
• b: 7.7208 ± 0.0003 Å
• c: 9.3072 ± 0.0004 Å
• α: 81.212 ± 0.003°
• β: 76.59 ± 0.003°
• γ: 71.385 ± 0.003°
• Cell volume: 499.43 ± 0.04 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.168
• Weighted residual factors for all reflections included in the refinement: 0.1908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes