Information card for entry 2215373

Structure parameters

• Common name: N-Methyl-2-pyrrolidone hydrochloride
• Chemical name: N-Methyl-2-pyrrolidone hydrochloride
• Formula: C5 H10 Cl N O
• Calculated formula: C5 H10 Cl N O
• SMILES: [Cl-].OC1=[N+](CCC1)C
• Title of publication: <i>N</i>-Methyl-2-pyrrolidone hydrochloride
• Authors of publication: Sebastian Herler; Peter Mayer; Axel Schulz; Alexander Villinger
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3991 - o3991
• a: 6.1391 ± 0.0002 Å
• b: 8.9537 ± 0.0002 Å
• c: 12.5976 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 692.46 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes