Molecular structure of two C-aryl-iminocyclitols studied by X-ray and ab initio calculations

), C , = 382.41, , = 9.7215(9), = 10.687(1), = 18.399(2) Å, = 1911.6(3) Å , = 4, = 0.0395. ( ), C ClNO , = 275.72, , = 10.431(1), = 6.9223(8), = 18.043(2) Å, = 102.085(7)°, = 1273.9(2) Å , = 4, = 0.0578. The five membered ring is in a twist conformation in ( ) and in the two independent molecules of...

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Published inZeitschrift für Kristallographie. Crystalline materials Vol. 220; no. 1; pp. 45 - 49
Main Authors Zukerman-Schpector, Julio, Caracelli, Ignez, Vega-Teijido, Maurício, Garcia, Ariel L. L., Costenaro, Edson R., Correia, Carlos Roque D.
Format Journal Article
LanguageEnglish
Published De Gruyter Oldenbourg 01.01.2005
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Summary:), C , = 382.41, , = 9.7215(9), = 10.687(1), = 18.399(2) Å, = 1911.6(3) Å , = 4, = 0.0395. ( ), C ClNO , = 275.72, , = 10.431(1), = 6.9223(8), = 18.043(2) Å, = 102.085(7)°, = 1273.9(2) Å , = 4, = 0.0578. The five membered ring is in a twist conformation in ( ) and in the two independent molecules of ( ) in an envelope conformation. In both compounds the hydroxyl moieties are involved in hydrogen bonds. The compounds were studied by HF/6-31G** computations.
ISSN:2194-4946
2196-7105
DOI:10.1524/zkri.220.1.45.58888