Information card for entry 2020082

Structure parameters

• Chemical name: 1,3-Bis(trimethylsilyl)-1<i>H</i>-benzimidazole-2(<i>3H</i>)-thione
• Formula: C13 H22 N2 S Si2
• Calculated formula: C13 H22 N2 S Si2
• SMILES: [Si](N1c2c(N([Si](C)(C)C)C1=S)cccc2)(C)(C)C
• Title of publication: Aminosilanes derived from 1<i>H</i>-benzimidazole-2(3<i>H</i>)-thione
• Authors of publication: Palomo-Molina, Juliana; García-Báez, Efrén V.; Contreras, Rosalinda; Pineda-Urbina, Kayim; Ramos-Organillo, Angel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• a: 10.0302 ± 0.0003 Å
• b: 10.6172 ± 0.0003 Å
• c: 16.2428 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1729.74 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes