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Reinvestigation of the crystal structure of β-alanine

PAPAVINASAM, E and NATARAJAN, S and SHIVAPRAKASH, NC (2009) Reinvestigation of the crystal structure of β-alanine. In: International Journal of Peptide and Protein Research, 28 (5). pp. 525-528. ISSN 03678377

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Official URL: http://dx.doi.org/10.1111/j.1399-3011.1986.tb03287...


A reinvestigation of the crystal structure of β-alanine was carried out. The structure is orthorhombic, space group Pbca, with eight molecules per unit cell. Cell parameters were a = 9.882 (2), b = 13.807 (2), and c = 6.086 (2) Å. Three-dimensional intensity data collected in a CAD-4 diffractometer using Cu K α radiation was used in the least-squares refinement leading to a final R value of 0.038. The average standard deviations in bond lengths and angles were 0.002 Å and 0.2°, respectively. The corresponding values in the earlier work of José & Pant (1965) were 0.01 Å and 0.6°, respectively. The positions of all the hydrogen atoms were located in the present study. The amino nitrogen forms three hydrogen bonds of nearly equal bond lengths and angles, with the oxygen atoms. The β-alanine molecules exist in the crystal as zwitterions.

Item Type: Journal Article
Additional Information: copy right of this article belongs to the International Journal of Peptide and Protein Research
Department/Centre: Division of Physical & Mathematical Sciences > Instrumentation Appiled Physics
Depositing User: Id for Latest eprints
Date Deposited: 04 Jan 2017 05:14
Last Modified: 04 Jan 2017 05:14
URI: http://eprints.iisc.ac.in/id/eprint/55740

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