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2-Aza-niumylcarba-closo-dodeca-borate ethanol monosolvate.

ABSTRACT: Two formula units of the title compound, 2-H(3)N-closo-1-CB(11)H(11)·CH(3)CH(2)OH or CH(14)B(11)N·C(2)H(5)OH, form a ring motif of R(4) (2)(8) type in the solid state that surrounds a crystallographic center of symmetry. The ring motif is a result of N-H⋯O hydrogen bonds. In contrast to many structures of {closo-1-CB(11)} clusters, the assignment of the position of the cluster C atom in the structure of the title compound is unambigious. The relatively long B-N bond length [1.5396 (10) Å] documents the absence of any B-N π-inter-action in the title compound although this was observed for a related 2-amino-carba-closo-dodeca-borate.

SUBMITTER: Himmelspach A

PROVIDER: S-EPMC3051930 | biostudies-literature | 2011 Feb

REPOSITORIES: biostudies-literature

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2-Aza-niumylcarba-closo-dodeca-borate ethanol monosolvate.

Himmelspach Alexander A Reiss Guido J GJ Finze Maik M

Acta crystallographica. Section E, Structure reports online 20110226 Pt 3

Two formula units of the title compound, 2-H(3)N-closo-1-CB(11)H(11)·CH(3)CH(2)OH or CH(14)B(11)N·C(2)H(5)OH, form a ring motif of R(4) (2)(8) type in the solid state that surrounds a crystallographic center of symmetry. The ring motif is a result of N-H⋯O hydrogen bonds. In contrast to many structures of {closo-1-CB(11)} clusters, the assignment of the position of the cluster C atom in the structure of the title compound is unambigious. The relatively long B-N bond length [1.5396 (10) Å] docume ...[more]

PMID: 21522448

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