Abstract
The structure of the title compound, C13H14O2, a pentacycloundecane cage derivative, exhibits unusual Csp 3—Csp 3 single-bond lengths ranging from 1.505 (3) to 1.607 (2) Å and strained bond angles as small as 88.7 (1)° and as large as 121.0 (2)°. In this meso compound, an internal non-crystallographic mirror plane exists, bisecting the molecule. In the crystal, weak C—H⋯O hydrogen bonds link the molecules into an infinite spiral about a twofold screw axis along the [100] direction.
Highlights
The structure of the title compound, C13H14O2, a pentacycloundecane cage derivative, exhibits unusual Csp3—Csp3 singlebond lengths ranging from 1.505 (3) to 1.607 (2) Å and strained bond angles as small as 88.7 (1) and as large as
Weak C—H O hydrogen bonds link the molecules into an infinite spiral about a twofold screw axis along the Hydrogen-bond geometry (Å, )
For related literature and examples of PCU cage structures exhibiting C—C bond lengths that deviate from the norm, see: Flippen-Anderson et al (1991); Bott et al (1998); Linden et al
Summary
M. Maguire,a* Hong Suc and Hendrik G. Krugera a School of Chemistry, University of KwaZulu-Natal, Durban 4000, South Africa, School of Pharmacy and Pharmacology, University of KwaZulu-Natal, Durban. 4000, South Africa, and cSchool of Chemistry, University of Cape Town, South Africa. R factor = 0.033; wR factor = 0.090; data-to-parameter ratio = 7.7. The structure of the title compound, C13H14O2, a pentacycloundecane cage derivative, exhibits unusual Csp3—Csp singlebond lengths ranging from 1.505 (3) to 1.607 (2) Å and strained bond angles as small as 88.7 (1) and as large as. In this meso compound, an internal non-crystallographic mirror plane exists, bisecting the molecule. Weak C—H O hydrogen bonds link the molecules into an infinite spiral about a twofold screw axis along the [100] direction
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