Dataset Information
Norbornane-exo-cis-2,3-diyl 1',2'-phenyl-ene orthocarbonate.
Ontology highlight
ABSTRACT: The title compound (systematic name
4,7-methano-2,2'-spirobi-[1,3-benzodioxole]), C(14)H(14)O(4), 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 mol-ecule is close to having non-crystallographic C(s) 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?? inter-actions.
SUBMITTER: Betz R
PROVIDER: S-EPMC2960339 | biostudies-literature | 2008 Jan
REPOSITORIES: biostudies-literature
Publications
Norbornane-exo-cis-2,3-diyl 1',2'-phenyl-ene orthocarbonate.
Acta crystallographica. Section E, Structure reports online 20080109 Pt 2
<h4>The title compound (systematic name</h4>4,7-methano-2,2'-spirobi-[1,3-benzodioxole]), C(14)H(14)O(4), 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 mol-ecule is close to having non-crystallographic C(s) 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 ra ...[more]