Information card for entry 2221142

Structure parameters

• Chemical name: 1,3-Bis[(6-methyl-2-pyridyl)methyl]imidazolium bromide
• Formula: C17 H19 Br N4
• Calculated formula: C17 H19 Br N4
• SMILES: [Br-].n1c(C)cccc1Cn1cc[n+](c1)Cc1nc(ccc1)C
• Title of publication: 1,3-Bis[(6-methyl-2-pyridyl)methyl]imidazolium bromide
• Authors of publication: Kim, Ga Young; Park, Sang-Kyu; Lee, Dong-Heon; Park, Gyungse
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o637
• a: 8.2951 ± 0.0004 Å
• b: 12.4992 ± 0.0005 Å
• c: 16.1786 ± 0.0007 Å
• α: 90°
• β: 95.709 ± 0.001°
• γ: 90°
• Cell volume: 1669.11 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0618
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes