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Type: Artigo de periódico
Title: Self-association and stereochemistry study of (5R)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one
Author: Rodrigues, A
Olivato, PR
Zukerman-Schpector, J
Rittner, R
Abstract: C10H12N2O2, M-r = 191.21, P2(1), a = 5.5771(7), b=27.841(3), c=6.906(1)(a) over circle, beta=111.937(9)degrees, Z=4, R-1 = 0.0462. The two independent molecules in the asymmetric unit are linked through two very strong quasi centrosymmetric hydrogen bonds. The oxadiazinone rings, of both molecules, show the pyramidal inversion at N-4 nitrogen, thus resulting in a C(R)N(S)-C(R)N(R) diastereomeric pair. The analysis of the IR N-H stretching band (in the solid and in carbon tetrachloride solution) and the C-13 NMR experiment at low temperature are in agreement with the Xray crystal structure.
Subject: infrared spectroscopy
C-13 NMR spectroscopy
single crystal structure analysis
X-ray diffraction
Country: Alemanha
Editor: Oldenbourg Verlag
Citation: Zeitschrift Fur Kristallographie. Oldenbourg Verlag, v. 221, n. 3, n. 226, n. 230, 2006.
Rights: embargo
Identifier DOI: 10.1524/zkri.2006.221.3.226
Date Issue: 2006
Appears in Collections:Unicamp - Artigos e Outros Documentos

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