Information card for entry 2311254

Structure parameters

• Chemical name: 1-(2,4-Dimethylphenyl)-2-(4-trimethylsilyl-1<i>H</i>-1,2,3-triazol-1-yl)ethanone
• Formula: C15 H21 N3 O Si
• Calculated formula: C15 H21 N3 O Si
• SMILES: [Si](c1nnn(CC(=O)c2c(cc(cc2)C)C)c1)(C)(C)C
• Title of publication: Crystal structure of 1-(2,4-di-methyl-phen-yl)-2-(4-tri-methyl-silyl-1H-1,2,3-triazol-1-yl)ethanone.
• Authors of publication: Venkatesh, G. B.; Nagarajaiah, H.; Prasad, N. L.; HariPrasad, S.; Begum, Noor Shahina
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: Pt 12
• Pages of publication: o1253
• a: 5.961 ± 0.003 Å
• b: 13.374 ± 0.007 Å
• c: 20.349 ± 0.011 Å
• α: 79.034 ± 0.01°
• β: 84.831 ± 0.01°
• γ: 85.123 ± 0.01°
• Cell volume: 1582.3 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2181
• Residual factor for significantly intense reflections: 0.0918
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No