Information card for entry 2007438

Structure parameters

• Chemical name: 3,4-Dimethylpyridinehydrobromide
• Formula: C7 H10 Br N
• Calculated formula: C7 H10 Br N
• SMILES: [Br-].[nH+]1cc(C)c(C)cc1
• Title of publication: The Twinned Crystal Structure of 3,4-Dimethylpyridine Hydrobromide at 157K
• Authors of publication: Bolte, Michael; Kettner, Markus
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 963 - 964
• a: 7.3367 ± 0.0007 Å
• b: 7.7985 ± 0.0008 Å
• c: 8.396 ± 0.0009 Å
• α: 69.989 ± 0.001°
• β: 64.152 ± 0.001°
• γ: 89.997 ± 0.002°
• Cell volume: 399.85 ± 0.07 ų
• Cell temperature: 157 K
• Ambient diffraction temperature: 157 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections: 0.1324
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes