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Crystal structures of two bi-cyclo-[5.1.0]octa-nes: potassium trans-bi-cyclo-[5.1.0]octane-4-carboxyl-ate monohydrate and cis-bi-cyclo-[5.1.0]octan-4-yl 4-bromo-benzene-sulfonate.

Peter W R CorfieldRichard A Kershaw
Published in: Acta crystallographica. Section E, Crystallographic communications (2017)
The crystal structures of the trans-fused compound potassium trans-bi-cyclo-[5.1.0]octane-4-carboxyl-ate monohydrate, K+·C9H13O2-·H2O, (I), and of cis-bi-cyclo-[5.1.0]octan-4-yl 4-bromo-benzene-sulfonate, C14H17BrO3S, (II), have been determined. Compound (I) represents the smallest trans-fused cyclo-propane structure known to date, and features the expected shortening of the bridging C-C bond relative to the other cyclo-propane bond lengths, in contrast to the cis-fused system, (II), where all of the cyclo-propane bond lengths are the same. The bicyclic ring system of (I) is disordered across a crystallographic mirror plane. The geometries of the cis-fused and trans-fused ring systems are compared.
Keyphrases
  • magnetic resonance
  • computed tomography