Information card for entry 1551655

Structure parameters

• Chemical name: 2-Cyano-N-cyclohexylacetamide
• Formula: C9 H14 N2 O
• Calculated formula: C9 H14 N2 O
• SMILES: O=C(NC1CCCCC1)CC#N
• Title of publication: Crystal Structure of 2-Cyano-N-cyclohexylacetamide
• Authors of publication: Sharma, Preetika; Anthal, Sumati; Prakash, V.; Vasu; Gupta, Vivek K.; Kant, Rajni
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2014
• Journal volume: 30
• Pages of publication: 17
• a: 12.057 ± 0.002 Å
• b: 4.7671 ± 0.0008 Å
• c: 16.327 ± 0.004 Å
• α: 90°
• β: 96.5 ± 0.02°
• γ: 90°
• Cell volume: 932.4 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.112
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No