C–H⋯O Hydrogen bonding induced conformation of (S,S)-1,3-benzenedisulfonyl bis[(4S)-4-(ethyl ester)-oxazolidin-2-one],10.1039/B504667J

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C–H⋯O Hydrogen bonding induced conformation of (S,S)-1,3-benzenedisulfonyl bis[(4S)-4-(ethyl ester)-oxazolidin-2-one]

David M. Benoit,Gregory S. Coumbarides,Marco Dingjan,Jason Eames,Stephanos Ghilagaber,Majid Motevalli

CrystEngComm Pub Date : 07/06/2005 00:00:00 , DOI:10.1039/B504667J

Abstract

The conformational arrangement of (S,S)-1,3-benzenedisulfonyl bis[(4S)-4-(ethyl ester)-oxazolidin-2-one] was examined by X-ray crystallography. This revealed an unusual conformational arrangement held together by an internal C–H⋯O [double bond, length as m-dash] C hydrogen bond. Computational modelling has revealed the native conformer to be 16.94 kJ mol⁻¹ more stable than an open conformation.