Information card for entry 7201513

Structure parameters

• Chemical name: 1-Phenylcyclohexanecarboxamide
• Formula: C13 H17 N O
• Calculated formula: C13 H17 N O
• SMILES: C1(CCCCC1)(C(=O)N)c1ccccc1
• Title of publication: Hydrogen bonding patterns in a series of 1-arylcycloalkanecarboxamides
• Authors of publication: Lemmerer, Andreas; Michael, Joseph P.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 95
• a: 13.8232 ± 0.0019 Å
• b: 6.1326 ± 0.0008 Å
• c: 26.176 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2219 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No