Information card for entry 2236528

Structure parameters

• Chemical name: 1-{[Dimethyl(phenyl)silyl]methyl}-3-(2-phenylethyl)-1<i>H</i>-benzimidazol- 3-ium bromide monohydrate
• Formula: C24 H29 Br N2 O Si
• Calculated formula: C24 H29 Br N2 O Si
• SMILES: [Si](C[n+]1c2c(n(c1)CCc1ccccc1)cccc2)(C)(C)c1ccccc1.[Br-].O
• Title of publication: 1-{[Dimethyl(phenyl)silyl]methyl}-3-(2-phenylethyl)-1<i>H</i>-benzimidazol-3-ium bromide monohydrate
• Authors of publication: Akkurt, Mehmet; Küçükbay, Hasan; Şireci, Nihat; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2718 - o2719
• a: 15.175 ± 0.0011 Å
• b: 8.9097 ± 0.0006 Å
• c: 17.944 ± 0.0014 Å
• α: 90°
• β: 96.235 ± 0.006°
• γ: 90°
• Cell volume: 2411.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1367
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for significantly intense reflections: 0.1455
• Weighted residual factors for all reflections included in the refinement: 0.1728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes