Abstract
An X-ray structural analysis of mono-β-alaninium nitrate has been carried out. The substance crystallizes in an orthorhombic system in the space group Pca2(t), a = 14.8135(11) Å, b = 7.3338(5) Å, c = 11.9121(12) Å, V= 1294.12(18) Å(3), Z = 8, R = 0.0361 for 1299 observed reflections.
The asymmetric unit contains two β-alaninium cations (NH3(+)CH2CH2COOH) and two nitrate anions (NO3(-)). The whole crystal structure is formed by β-alaninium dimers (linked by two intermediate asymmetrical hydrogen bonds of length 2.64 Å) and nitrate anions connected by a system of hydrogen bonds, in which all the hydrogen atoms of the NH3+ groups participate.
Fourier transform infrared (FTIR) and FT Raman spectra of natural and deuterated crystals were recorded and interpreted. The FTIR spectra were studied down to a temperature of 90 K.
Differential scanning calorimetry (DSC) measurements were carried out in the temperature range 95-370 K. No phase transition was found in this temperature range by DSC and FTIR.