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1-Ethyl-3-methyl-1H-imidazol-3-ium spiro-penta-borate.

ABSTRACT: In the anion of the title compound, (C6H11N2)[B5O6(OH)4], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C-N-C-C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O-H⋯O hydrogen bonds, forming channels along the a-axis direction. The cations are situated in the channels, forming C-H⋯O hydrogen bonds with the anions.

SUBMITTER: Parker TG

PROVIDER: S-EPMC3998326 | biostudies-literature | 2014 Feb

REPOSITORIES: biostudies-literature

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1-Ethyl-3-methyl-1H-imidazol-3-ium spiro-penta-borate.

Parker T Gannon TG Pubbi Divya D Beehler Austin A Albrecht-Schmitt Thomas E TE

Acta crystallographica. Section E, Structure reports online 20140118 Pt 2

In the anion of the title compound, (C6H11N2)[B5O6(OH)4], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C-N-C-C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected ...[more]

PMID: 24764887

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