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1,7-Dimethyl-penta-cyclo-[5.4.0.0.0.0]undecane-8,11-dione.

ABSTRACT: The structure of the title compound, C(13)H(14)O(2), a penta-cyclo-undecane 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 inter-nal non-crystallographic mirror plane exists, bis-ecting the mol-ecule. In the crystal, weak C-H?O hydrogen bonds link the mol-ecules into an infinite spiral about a twofold screw axis along the [100] direction.

SUBMITTER: Chakka SK

PROVIDER: S-EPMC3007444 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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1,7-Dimethyl-penta-cyclo-[5.4.0.0.0.0]undecane-8,11-dione.

Chakka Sai Kumar SK Onajole Oluseye K OK Govender Thavendran T Maguire Glenn E M GE Su Hong H Kruger Hendrik G HG

Acta crystallographica. Section E, Structure reports online 20100703 Pt 8

The structure of the title compound, C(13)H(14)O(2), a penta-cyclo-undecane 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 inter-nal non-crystallographic mirror plane exists, bis-ecting the mol-ecule. In the crystal, weak C-H⋯O hydrogen bonds link the mol-ecules into an infinite spiral about a twofold screw axis along the [100] direction. ...[more]

PMID: 21588235

Similar Datasets

Crystal structures of 3,6-di-allyl-tetra-cyclo[6.3.0.0(4,11).0(5,9)]undeca-2,7-dione and 1,7-di-allyl-penta-cyclo-[5.4.0.0(2,6). 0(3,10).0(5,9)]undecane-8,11-dione: allyl-ated caged compounds.

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| S-EPMC4257271 | biostudies-literature

N,N'-[(8-endo,11-endo-Dihy-droxy-penta-cyclo-[5.4.0.0.0.0]undecane-8,11-di-yl)bis-(methyl-enecarbon-yl)]di-l-phenyl-alanine.

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| S-EPMC2977829 | biostudies-literature

tert-Butyl N-[(11-exo-benzyl-oxy-carbonyl-8-oxopenta-cyclo-[5.4.0.0.0.0]undecane-11-endo-yloxy)carbon-yl-methyl]carbamate.

Project description:The structure of the title compound, C(26)H(29)NO(7), at 173 K has an inter-molecular N-H⋯O hydrogen bond. This is one of the few examples where a mono-ketone penta-cyclo-undecane (PCU) mol-ecule exibits hydrogen bonding in the solid state. The dihedral angles of the amide and ester groups are normal and unaffected by the cage structure. A longer than normal C-C bond [1.571 (4) Å] was found within the cage structure.

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11-{[2-(3-Fluoro-phen-yl)eth-yl](meth-yl)amino}-penta-cyclo-[5.4.0.0.0.0]undecan-8-one.

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