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Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris-(4,5-di-hydro-furan-2-yl)methyl-silane and tris-(4,5-di-hydro-furan-2-yl)phenyl-silane.

ABSTRACT: The title compounds, C13H18O3Si (1) and C18H20O3Si (2), represent functional-izable di-hydro-furan-ylsilanes, which permit substitution by a variety of nucleophiles. The crystal structures of 1 and 2 display weak inter-molecular C-H?O hydrogen-bonding inter-actions (qu-anti-fied by Hirshfeld surface analysis), leading to a two-dimensional supra-molecular network for 1 and a one-dimensional supra-molecular network for 2. The crystal structures of 1 and 2 were refined both on the basis of the independent atom model (IAM) and the Hirshfeld atom refinement (HAR) approach, and the results are comparatively discussed.

SUBMITTER: Krupp A

PROVIDER: S-EPMC7472748 | biostudies-literature | 2020 Sep

REPOSITORIES: biostudies-literature

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Crystal structures, Hirshfeld atom refinements and Hirshfeld surface analyses of tris-(4,5-di-hydro-furan-2-yl)methyl-silane and tris-(4,5-di-hydro-furan-2-yl)phenyl-silane.

Krupp Anna A Barth Eva Rebecca ER Seymen Rana R Strohmann Carsten C

Acta crystallographica. Section E, Crystallographic communications 20200828 Pt 9

The title compounds, C13H18O3Si (1) and C18H20O3Si (2), represent functional-izable di-hydro-furan-ylsilanes, which permit substitution by a variety of nucleophiles. The crystal structures of 1 and 2 display weak inter-molecular C-H⋯O hydrogen-bonding inter-actions (qu-anti-fied by Hirshfeld surface analysis), leading to a two-dimensional supra-molecular network for 1 and a one-dimensional supra- ...[more]

PMID: 32939310

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