Information card for entry 2243321

Structure parameters

• Chemical name: (4-Chlorophenyl)(4-methylpiperidin-1-yl)methanone
• Formula: C13 H16 Cl N O
• Calculated formula: C13 H16 Cl N O
• SMILES: Clc1ccc(C(=O)N2CCC(CC2)C)cc1
• Title of publication: Crystal structure of (4-chlorophenyl)(4-methylpiperidin-1-yl)methanone
• Authors of publication: Srividya, J.; Reuben Jonathan, D.; Revathi, B. K.; Divya Bharathi, M.; Anbalagan, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 4
• Pages of publication: 534 - 538
• a: 6.6286 ± 0.0004 Å
• b: 8.1569 ± 0.0005 Å
• c: 12.0061 ± 0.0008 Å
• α: 96.803 ± 0.003°
• β: 101.506 ± 0.003°
• γ: 98.511 ± 0.003°
• Cell volume: 621.73 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes