Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations
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Data
2005-03-18
Autores
Zukerman-Schpector, Julio
Caracelli, Ignez [UNESP]
Teijido, Maurício Vega
García, Ariel L. L.
Costenaro, Edson R.
Correia, Carlos Roque D.
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Resumo
(1), C18H26N2O7, Mr = 382.41, P212121, a = 9.7215(9), b = 10.687(1), c = 18.399(2) Å, V = 1911.6(3) Å3, Z = 4, R1 = 0.0395. (2), C12H18ClNO4, Mr = 275.72, P21, a = 10.431(1), b = 6.9223(8), c = 18.043(2) Å, β = 102.085(7)°, V = 1273.9(2) Å3, Z = 4, R1 = 0.0578. The five membered ring is in a twist conformation in (1) and in the two independent molecules of (2) in an envelope conformation. In both compounds the hydroxyl moieties are involved in hydrogen bonds. The compounds were studied by HF/6-31G** computations. © by Oldenbourg Wissenschaftsverlag, München.
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Palavras-chave
Azanucleosides, Azasugars, Iminoribitol, Single crystal structure analysis, Trypanosomiasis, X-ray diffraction
Como citar
Zeitschrift fur Kristallographie, v. 220, n. 1, p. 45-49, 2005.