Information card for entry 7201512

Structure parameters

• Chemical name: 1-Phenylcyclopentanecarboxamide
• Formula: C12 H15 N O
• Calculated formula: C12 H15 N O
• SMILES: C1(CCCC1)(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: 14.14 ± 0.002 Å
• b: 7.3843 ± 0.0011 Å
• c: 10.2066 ± 0.0015 Å
• α: 90°
• β: 109.291 ± 0.01°
• γ: 90°
• Cell volume: 1005.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No