Open AccessCrystal structure of mono-β-alanine hydrochloride
Author(s) -
Д. С. Цветков,
Maxim O. Mazurin
Publication year - 2020
Publication title -
chimica techno acta
Language(s) - English
Resource type - Journals
eISSN - 2411-1414
pISSN - 2409-5613
DOI - 10.15826/chimtech.2020.7.2.03
Subject(s) - orthorhombic crystal system , van der waals force , hydrogen bond , crystal structure , crystallography , chemistry , chloride , hydrochloride , fourier transform infrared spectroscopy , ion , infrared spectroscopy , lattice constant , crystal (programming language) , group (periodic table) , diffraction , molecule , organic chemistry , physics , programming language , quantum mechanics , computer science , optics
Crystal structure of mono-β-alaninium chloride has been studied by single crystal X-ray diffraction. The compound crystallizes in the orthorhombic system. The space group is Pbca, with the following lattice constants: a = 9.7414(5) Å, b = 7.4671(6) Å, c = 16.5288(11) Å, V = 1202.31(14) Å3, Z = 8. The asymmetric unit contains one β-alaninium cation (+NH3CH2CH2COOH) and one chloride anion. The structure was shown to consist of layers stacked along the c-axis and connected with each other by weak van der Waals forces. Each layer consists of two halves linked by hydrogen bonds between carbonyl and NH3+ groups and, also, between NH3+ groups and Cl- anions. Fourier transform infrared spectrum of β-alaninium chloride was recorded and analyzed. The spectroscopic results were found to support the conclusions of the structural study.