Email this article 
Crystal structure of mono-β-alanine hydrochloride
Abstract
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.
Keywords
Full Text:
PDFReferences
Fleck M., Petrosyan AM. Salts of Amino Acids. Crystallization, Structure and Properties. Springer International Publishing Switzerland; 2014. 574 p. doi:10.1007/978-3-319-06299-0
Jose P, Pant LM. The crystal and molecular structure of β-alanine. Acta Cryst. 1965;18:806–10. doi:10.1107/S0365110X65001810
Averbuch-Pouchot MT, Durif A, Guitel JC. Structures of β‐alanine, dl‐alanine and sarcosine monophosphates. Acta Cryst Sect C. 1988;44:1968–72. doi:10.1107/S0108270188000502
Averbuch-Pouchot MT. Crystal structure of 3-ammonium propionic acid monohydrogen-phosphite, (H3NC2H4COOH)(HPO3H). Z Kristallogr. 1993;208:257–58. doi:10.1524/zkri.1993.208.Part-2.257
Nemec I, Gyepes R, Micka Z. The crystal structure, vibrational spectra and DSC measurements of mono-β-alaninium nitrate. J Mol Struct. 1999; 476:203–13. doi: 10.1016/S0022-2860(98)00545-6
Sridhar B, Srinivasan N, Rajaram RK. Bis(β‐alanine) hydrogen nitrate. Acta Cryst Sect E. 2001;57:o1004–06.
Rajagopal K, Krishnakumar RV, Natarajan S. β-Alaninium maleate. Acta Cryst Sect E. 2001;57:o922–24. doi:10.1107/S1600536801014672
Pandiarajan S, Sridhar B, Rajaram RK. β-Alaninium perchlorate. Acta Cryst Sect E. 2001;57:o1130–32.
Godzisz D, Ilczyszyn M, Ciunik Z. β-Alanine-hydrochloride (2:1) crystal: structure, 13C NMR and vibrational properties, protonation character. Spectrochim Acta Pt A. 2003;59:235–44. doi:10.1016/S1386-1425(02)00116-6
Watson CC. Infra-red identification of the N-methyl group in substituted amino acid hydrochlorides. Spectrochim Acta. 1960;16:1322–27. doi:10.1016/S0371-1951(60)80005-7
Sheldrick GM. Phase annealing in SHELX-90: direct methods for larger structures. Acta Cryst Sect A. 1990;46:4674–73. doi:10.1107/S0108767390000277
Sheldrick GM. SHELXL-97, Program for crystal structure refinement. University of Göttingen. 1997.
Tulio M, Rosado S, Leonor M, Duarte RS, Fausto R. Vibrational spectra (FT-IR, Raman and MI-IR) of α- and β-alanine. J Mol Struct. 1997;410-411:343-48. doi:10.1016/S0022-2860(96)09695-0
DOI: https://doi.org/10.15826/chimtech.2020.7.2.03
Copyright (c) 2020 Dmitry S. Tsvetkov, Maksim O. Mazurin
This work is licensed under a Creative Commons Attribution 4.0 International License.
© Website Chimica Techno Acta, 2014–2024
ISSN 2411-1414 (Online)
This journal is licensed under a Creative Commons Attribution 4.0 International