Information card for entry 2311203

Structure parameters

• Chemical name: 1-(3-Oxo-3-phenylpropyl)piperidinium chloride
• Formula: C14 H20 Cl N O
• Calculated formula: C14 H20 Cl N O
• SMILES: O=C(c1ccccc1)CC[NH+]1CCCCC1.[Cl-]
• Title of publication: 1-(3-Oxo-3-phenyl-prop-yl)piperidinium chloride.
• Authors of publication: Anuradha, Venkatramu; Madan Kumar, S.; Siddaraju, B. P.; Lokanath, N. K.; Nagendra, P.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 12
• Pages of publication: o1748
• a: 11.2936 ± 0.0013 Å
• b: 12.0531 ± 0.0015 Å
• c: 10.965 ± 0.0013 Å
• α: 90°
• β: 112.971 ± 0.005°
• γ: 90°
• Cell volume: 1374.2 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0953
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No