Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations
Resumen
(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.
Cómo citar este documento
Zukerman-Schpector, Julio et al. Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations. Zeitschrift fur Kristallographie, v. 220, n. 1, p. 45-49, 2005. Disponible en: <http://hdl.handle.net/11449/224494>.
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