Information card for entry 2240291

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate
• Formula: C14 H21 Cl N2 O2
• Calculated formula: C14 H21 Cl N2 O2
• SMILES: O.C1CCCCN1CCNC(=O)c1ccc(cc1)Cl
• Title of publication: Crystal structure of 4-chloro-<i>N</i>-[2-(piperidin-1-yl)ethyl]benzamide monohydrate
• Authors of publication: Prathebha, K.; Reuben Jonathan, D.; Revathi, B. K; Sathya, S.; Usha, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o39 - o40
• a: 14.9115 ± 0.0006 Å
• b: 6.6899 ± 0.0003 Å
• c: 15.6215 ± 0.0007 Å
• α: 90°
• β: 102.956 ± 0.002°
• γ: 90°
• Cell volume: 1518.67 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1088
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes