(±)-Cyclo-hexane-1,2-diyl bis-(4-nitro-benzoate).

Acta Crystallogr Sect E Struct Rep Online

Department of Chemistry, University of Auckland, Private Bag 92019, Auckland, New Zealand.

Published: October 2008

The crystal structure of the title compound, C(20)H(18)N(2)O(8), has been investigated to establish the relative stereochemistry between the ester groups. The cyclo-hexane ring adopts a chair conformation, in which the two ester groups occupy the adjacent equatorial positions in a trans relationship with each other. The mol-ecules assemble in the crystal as chains along the c axis via C-H⋯π inter-actions between the cyclo-hexane ring and a pair of nitro-phenyl rings of the neighbouring mol-ecule. Also observed are π-π stacking inter-actions between the nitro-phenyl rings of neighbouring chains, with a perpendicular distance between these rings of 3.409 Å and a slippage of 0.969 Å.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2959677PMC
http://dx.doi.org/10.1107/S1600536808033874DOI Listing

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