(S)-Alanine ethyl ester tetra-cyanidoborate, (C5H12NO)[B(CN)4]

IUCrdata. 2021 Jun 4;6(Pt 6):x210562. doi: 10.1107/S2414314621005629. eCollection 2021 Jun.

Abstract

The title mol-ecular salt, C5H12NO+·C4BN4 - or (C5H12NO)[B(CN)4], was obtained as single crystals by slow evaporation of a solution of the compound in aceto-nitrile over several weeks. The asymmetric unit contains two (S)-alanine ethyl ester cations and two tetra-cyanidoborate anions, which are linked by N-H⋯N hydrogen bonds. The compound exhibits a relatively low melting point of 110°C and shows a solid-solid phase transition near room temperature (T s-s = 29°C) on the basis of DSC measurements.

Keywords: amino acid; borate; crystal structure.

Grants and funding

Funding for this research was provided by: Deutsche Forschungsgemeinschaft (grant No. KO-1616-4 to MK).