Information card for entry 2226414

Structure parameters

• Chemical name: 1-Benzyl-3-[(trimethylsilyl)methyl]benzimidazolium chloride monohydrate
• Formula: C18 H25 Cl N2 O Si
• Calculated formula: C18 H25 Cl N2 O Si
• SMILES: [Si](C[n+]1c2ccccc2n(c1)Cc1ccccc1)(C)(C)C.O.[Cl-]
• Title of publication: 1-Benzyl-3-[(trimethylsilyl)methyl]benzimidazolium chloride monohydrate
• Authors of publication: Akkurt, Mehmet; Çelik, Ísmail; Küçükbay, Hasan; Şireci, Nihat; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1770 - o1771
• a: 9.3592 ± 0.0007 Å
• b: 10.95 ± 0.0009 Å
• c: 11.0522 ± 0.0008 Å
• α: 117.594 ± 0.006°
• β: 103.295 ± 0.006°
• γ: 92.094 ± 0.006°
• Cell volume: 963.39 ± 0.15 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.062
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes