Information card for entry 2210712

Structure parameters

• Chemical name: 1-Allyl-4-aminopyridinium bromide
• Formula: C8 H11 Br N2
• Calculated formula: C8 H11 Br N2
• SMILES: [n+]1(ccc(N)cc1)CC=C.[Br-]
• Title of publication: 1-Allyl-4-aminopyridinium bromide
• Authors of publication: Seethalakshmi, T.; Venkatesan, P.; Butcher, Ray J.; Nallu, M.; Kaliannan, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4730 - o4731
• a: 6.9085 ± 0.0019 Å
• b: 9.179 ± 0.003 Å
• c: 14.186 ± 0.004 Å
• α: 90.096 ± 0.004°
• β: 97.446 ± 0.004°
• γ: 94.164 ± 0.004°
• Cell volume: 889.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0881
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes