Information card for entry 4508721

Structure parameters

• Common name: 05249a
• Chemical name: N,N-dimethylpiperidinium iodide
• Formula: C7 H16 I N
• Calculated formula: C7 H16 I N
• SMILES: [I-].[N+]1(CCCCC1)(C)C
• Title of publication: Crystal Packing, Steric Effects, and Heteroatoms: Comparison of N,N-Dimethylpyrrolidinium, Piperidinium, and Morpholinium Iodide Salts
• Authors of publication: Henderson, Wesley A.; Young, Jr., Victor G.; Fylstra, Paul; De Long, Hugh C.; Trulove, Paul C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 1645 - 1648
• a: 7.338 ± 0.0007 Å
• b: 12.1335 ± 0.0012 Å
• c: 10.6396 ± 0.001 Å
• α: 90°
• β: 94.978 ± 0.002°
• γ: 90°
• Cell volume: 943.73 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0179
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No