Information card for entry 7201515

Structure parameters

• Chemical name: 1-(2-Chlorophenyl)cyclohexanecarboxamide
• Formula: C13 H16 Cl N O
• Calculated formula: C13 H16 Cl N O
• SMILES: C1(CCCCC1)(C(=O)N)c1c(cccc1)Cl
• 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: 13.314 ± 0.002 Å
• b: 9.3311 ± 0.0013 Å
• c: 29.104 ± 0.004 Å
• α: 90°
• β: 90.109 ± 0.01°
• γ: 90°
• Cell volume: 3615.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0737
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.662
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No