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|Type:||Artigo de periódico|
|Title:||Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations|
|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.|
single crystal structure analysis
|Editor:||R Oldenbourg Verlag|
|Appears in Collections:||Unicamp - Artigos e Outros Documentos|
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