Information card for entry 2220985

Structure parameters

• Common name: Pyrrolidiniumchloride
• Chemical name: Pyrrolidinium chloride
• Formula: C4 H10 Cl N
• Calculated formula: C4 H10 Cl N
• SMILES: C1C[NH2+]CC1.[Cl-]
• Title of publication: Pyrrolidinium chloride
• Authors of publication: Giglmeier, Helene; Kerscher, Tobias; Klüfers, Peter; Mayer, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o592
• a: 7.4429 ± 0.0004 Å
• b: 9.4104 ± 0.0005 Å
• c: 8.9021 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 623.51 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes