Information card for entry 2231943

Structure parameters

• Chemical name: 2-Ethylpiperidinium chloride
• Formula: C7 H16 Cl N
• Calculated formula: C7 H16 Cl N
• SMILES: [NH2+]1CCCCC1CC.[Cl-]
• Title of publication: 2-Ethylpiperidinium chloride
• Authors of publication: Al-Dajani, Mohammad T. M.; Talaat, Jamal; Salhin, Abdusalam; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2653
• a: 24.2052 ± 0.0006 Å
• b: 9.7594 ± 0.0003 Å
• c: 7.2764 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1718.89 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes