Crystal structure of cadaverine dihydrochloride monohydrate.
Indian J Biochem Biophys
;
1992 Oct; 29(5): 402-6
Artigo
em Inglês
| 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.
Texto completo:
DisponíveL
Índice:
IMSEAR (Sudeste Asiático)
Assunto principal:
Termodinâmica
/
Difração de Raios X
/
Cadaverina
/
Ligação de Hidrogênio
/
Conformação Molecular
Idioma:
Inglês
Revista:
Indian J Biochem Biophys
Ano de publicação:
1992
Tipo de documento:
Artigo
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