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Tetra-ethyl-ammonium 7,12-di-cyano-1-carba-closo-dodeca-borate.

ABSTRACT: In the title compound, C8H20N(+)·C3H10B11N2 (-), the carborane anion cage displays nearly-perfect Cs symmetry, with the two CN groups lying on a noncrystallographic mirror plane that bis-ects the cage. In the crystal, the anions form extended chains along the a-axis direction, with C-H?N hydrogen bonds linking consecutive anions. The C N bond lengths (and B-C N angles) in the nitrile moities are 1.1201?(19)?Å, 178.60?(15)° and 1.1433?(17)?Å, 179.45?(15)°, similar to those observed in organic nitriles. A hydrogen bond between a methylene H atom of the cation and the N atom in one of the nitrile groups of the anion is the closest contact between the anion and cation, at 2.52?Å.

SUBMITTER: Juhasz MA

PROVIDER: S-EPMC3998626 | biostudies-literature | 2014 Apr

REPOSITORIES: biostudies-literature

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Tetra-ethyl-ammonium 7,12-di-cyano-1-carba-closo-dodeca-borate.

Juhasz Marcus A MA Juers Douglas H DH Dwulet Gregory E GE Rosenbaum Aaron J AJ

Acta crystallographica. Section E, Structure reports online 20140312 Pt 4

In the title compound, C8H20N(+)·C3H10B11N2 (-), the carborane anion cage displays nearly-perfect Cs symmetry, with the two CN groups lying on a noncrystallographic mirror plane that bis-ects the cage. In the crystal, the anions form extended chains along the a-axis direction, with C-H⋯N hydrogen bonds linking consecutive anions. The C N bond lengths (and B-C N angles) in the nitrile moities are 1.1201 (19) Å, 178.60 (15)° and 1.1433 (17) Å, 179.45 (15)°, similar to those observed in organic nit ...[more]

PMID: 24826126

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