Crystal structure of cadaverine dihydrochloride monohydrate.
Indian J Biochem Biophys
;
1992 Oct; 29(5): 402-6
Article
in English
| IMSEAR
| ID: sea-27986
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)A, b = 4.517(2)A, c = 20.370(3)A, beta = 106.56 degrees (1) V = 1041.9(2)A3; lambda = 1.541A; mu = 53.41; T = 296 degrees; Z = 4, Dx = 1.218 g.cm-3, R = 0.101 for 1383 observed reflections. The crystal is highly pseudo-symmetric 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.
Full text:
Available
Index:
IMSEAR (South-East Asia)
Main subject:
Thermodynamics
/
X-Ray Diffraction
/
Cadaverine
/
Hydrogen Bonding
/
Molecular Conformation
Language:
English
Journal:
Indian J Biochem Biophys
Year:
1992
Type:
Article
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