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Norbornane-exo-cis-2,3-diyl 1′,2′-phenylene orthocarbonate
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 molecule is close to havi...
Autores principales: | , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960339/ https://www.ncbi.nlm.nih.gov/pubmed/21201427 http://dx.doi.org/10.1107/S1600536807063660 |
Sumario: | 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 molecule 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⋯π interactions. |
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