Information card for entry 2227380

Structure parameters

• Chemical name: 1-(Prop-2-en-1-yl)-3-[(trimethylsilyl)methyl]benzimidazolium bromide monohydrate
• Formula: C14 H23 Br N2 O Si
• Calculated formula: C14 H23 Br N2 O Si
• SMILES: [Si](Cn1c2c([n+](c1)CC=C)cccc2)(C)(C)C.O.[Br-]
• Title of publication: 1-(Prop-2-en-1-yl)-3-[(trimethylsilyl)methyl]benzimidazolium bromide monohydrate
• Authors of publication: Baktır, Zeliha; Akkurt, Mehmet; Şireci, Nihat; Küçükbay, Hasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2393 - o2394
• a: 8.9063 ± 0.0002 Å
• b: 10.472 ± 0.0002 Å
• c: 10.9439 ± 0.0003 Å
• α: 66.542 ± 0.004°
• β: 71.479 ± 0.004°
• γ: 80.625 ± 0.005°
• Cell volume: 887.07 ± 0.05 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes