Information card for entry 1545306

Structure parameters

• Chemical name: 1,4-Dimethylpyridinium iodide
• Formula: C7 H10 I N
• Calculated formula: C7 H10 I N
• SMILES: [n+]1(ccc(cc1)C)C.[I-]
• Title of publication: 1,4-Dimethylpyridinium iodide
• Authors of publication: Deschner, Joshua; Choczynski, Jack M.; Wong, Calvin Y.; Hayes, Kathleen L.; Crisci, Ralph R.; Lasher, Emily M.; Dragonette, Joseph; Cardenas, Allan Jay P.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170269
• a: 13.8301 ± 0.0006 Å
• b: 19.717 ± 0.0009 Å
• c: 10.2121 ± 0.0005 Å
• α: 90°
• β: 109.642 ± 0.001°
• γ: 90°
• Cell volume: 2622.7 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 149.99 K
• Number of distinct elements: 4
• 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: 0.0244
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes