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Crystal structure of cadaverine dihydrochloride monohydrate

Ramaswamy, S and Murthy, MRN (1992) Crystal structure of cadaverine dihydrochloride monohydrate. In: Indian Journal of Biochemistry and Biophys, 29 (5). pp. 40-406.

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Official URL: http://www.niscair.res.in/sciencecommunication/res...

Abstract

The structure of cadaverine dihydrochloride monohydrate has been determined by X-ray crystallography with the following features: NH3+(CH2)5NH3+.2Cl-.H2O, formula weight 191.1, monoclinic, P2, a = 11.814(2) angstrom, b = 4.517(2) angstrom, c = 20.370(3) angstrom, beta = 106.56-degrees(1): V = 1041.9(2) angstrom3, lambda = 1.541 angstrom; mu = 53.4 1; T = 296-degrees; Z = 4, D(x) = 1.218 g.cm-3, R = 0.101 for 1383 observed reflections. The crystal is highly pseudosymmetric with 2 molecules of cadaverine, 4 chloride ions and 2 partially disordered water molecules present in the asymmetric unit. Though both the cadaverine molecules in the asymmetric unit have an all trans conformation, the carbon backbones are slightly bent. Between the concave surfaces of two bent cadaverine molecules exists water channels all along the short b axis. The water molecules present in the channels are partially disordered

Item Type: Journal Article
Additional Information: Copyright of this article belongs to National Institute of Science Communication and Information Resources.
Department/Centre: Division of Biological Sciences > Molecular Biophysics Unit
Date Deposited: 06 Jan 2011 06:07
Last Modified: 06 Jan 2011 06:07
URI: http://eprints.iisc.ernet.in/id/eprint/34097

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