Information card for entry 2236368

Structure parameters

• Common name: (3-MeNH3pyrH).2Br
• Chemical name: 3-(Ammoniomethyl)pyridinium dibromide
• Formula: C6 H10 Br2 N2
• Calculated formula: C6 H10 Br2 N2
• SMILES: [Br-].[nH+]1cc(ccc1)C[NH3+].[Br-]
• Title of publication: 3-(Ammoniomethyl)pyridinium dibromide
• Authors of publication: Ali, Basem F.; Al-Far, Rawhi; Haddad, Salim F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3066
• a: 11.1588 ± 0.0006 Å
• b: 9.3902 ± 0.0005 Å
• c: 9.3833 ± 0.0005 Å
• α: 90°
• β: 113.092 ± 0.006°
• γ: 90°
• Cell volume: 904.43 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0528
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes