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Type: Artigo de periódico
Title: Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations
Author: Zukerman-Schpector, J
Caracelli, I
Teijido, MV
Garcia, ALL
Costenaro, ER
Correia, CRD
Abstract: C18H26N2O7, M-r = 382.41, P2(1)2(1)2(1), a 9.7215(9), b = 10.687(1), c = 18.399(2) angstrom, V 1911.6(3) angstrom(3), Z = 4, R-1 = 0.0395. (2), C12H18 CINO4, Mr = 275.72, P2(1), a = 10.431(1), b =: 6.9223(8), c = 18.043(2) angstrom, beta = 102.085(7)degrees, V = 1273.9(2) angstrom(3), Z = 4, R-1 = 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.
Subject: iminoribitol
single crystal structure analysis
X-ray diffraction
Country: Alemanha
Editor: R Oldenbourg Verlag
Rights: embargo
Identifier DOI: 10.1524/zkri.
Date Issue: 2005
Appears in Collections:Unicamp - Artigos e Outros Documentos

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