IUCrData (Jun 2021)

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

  • Tim Peppel,
  • Martin Köckerling

DOI
https://doi.org/10.1107/S2414314621005629
Journal volume & issue
Vol. 6, no. 6
p. x210562

Abstract

Read online

The title molecular salt, C5H12NO+·C4BN4− or (C5H12NO)[B(CN)4], was obtained as single crystals by slow evaporation of a solution of the compound in acetonitrile over several weeks. The asymmetric unit contains two (S)-alanine ethyl ester cations and two tetracyanidoborate 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 (Ts–s = 29°C) on the basis of DSC measurements.

Keywords