[HTML version][PDF version][CIF][3d view][Structure Factors][Supplementary Material][CIF check Report][Issue contents]  [Open access]

[Contents scheme]

Acta Cryst. (2008). E64, o399  [ doi:10.1107/S1600536807063660 ]

Norbornane-exo-cis-2,3-diyl 1',2'-phenylene orthocarbonate

R. Betz and P. Klüfers

Abstract: The title compound (systematic name: 4,7-methano-2,2'-spirobi[1,3-benzodioxole]), C14H14O4, is an asymmetric spiro ester of orthocarbonic acid and two diols, viz. the aromatic benzene-1,2-diol and the aliphatic vicinal norbornane-exo-cis-2,3-diol. The orthocarbonate molecule is close to having non-crystallographic Cs symmetry. The five-membered ring stemming from the aliphatic diol has an envelope conformation. C-O bonds including the spiro-C atom span an approximately 0.07 Å range, but are within 0.02 Å of the respective distances in a density functional theory calculation, i.e. the distance difference is not caused by packing forces. Accordingly, the crystal packing is characterized by weak C-H...O and C-H...[pi] interactions.

Online 9 January 2008


Copyright © International Union of Crystallography
IUCr Webmaster