Information card for entry 2228843

Structure parameters

• Chemical name: 4-(1<i>H</i>-Tetrazol-5-yl)pyridinium bromide
• Formula: C6 H6 Br N5
• Calculated formula: C6 H6 Br N5
• SMILES: [Br-].c1cc(c2[nH]nnn2)cc[nH+]1
• Title of publication: 4-(1<i>H</i>-Tetrazol-5-yl)pyridinium bromide
• Authors of publication: Zheng, Wen-Ni; Chen, Xin-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o53
• a: 4.8688 ± 0.001 Å
• b: 7.685 ± 0.0015 Å
• c: 11.174 ± 0.002 Å
• α: 90°
• β: 92.38 ± 0.03°
• γ: 90°
• Cell volume: 417.73 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes