Information card for entry 2211484

Structure parameters

• Chemical name: 3-Acetyl-2-(4-methylphenyl)cyclohex-2-en-1-one oxime
• Formula: C15 H17 N O2
• Calculated formula: C15 H17 N O2
• SMILES: N(O)=C1C(c2ccc(cc2)C)=C(C(=O)C)CCC1
• Title of publication: 3-Acetyl-2-(4-methylphenyl)cyclohex-2-en-1-one oxime
• Authors of publication: M. Periasamy; J. C. Jebaraj; J. Suresh; A. Ponnuswamy; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5920 - o5922
• a: 9.205 ± 0.004 Å
• b: 11.311 ± 0.004 Å
• c: 13.489 ± 0.005 Å
• α: 90°
• β: 102.19 ± 0.03°
• γ: 90°
• Cell volume: 1372.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0994
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes