A. Hendsbee, K. Vaughan
Oct 24, 2013
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Journal
Journal of Molecular Structure
Abstract
Abstract The crystal structure of 1,8,10,17-tetraazapentacyclo[8.8.1.1 8,17 .0 2,7 .0 11,16 ]icosane ( 1 ) has been determined by single crystal X-ray diffraction analysis. The title compound crystallized in space group Fddd. The asymmetric unit is modeled as a 45:55 disorder between the R,R,R,R and S,S,S,S forms of the molecule. The structure exhibits a ‘twisted lawn chair’ conformation with both nitrogen atoms attached to the cyclohexane ring adopting the equatorial positions. In each molecule all chiral centers are of the same configuration; however both the R,R,R,R and S,S,S,S conformations are present in the unit cell and are related by a center of inversion. The crystal structure of 1 is compared with the structure of the tetraazadodecane ( 5 ).