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8,8-Diethyl-1,4,5,8-tetra-hydro-naphthalene-1,4,5-trione.

ABSTRACT: The title mol-ecule, C(14)H(14)O(3), contains two fused six-membered carbon rings with keto groups at positions 1, 4 and 5 and a gem-diethyl group at position 8. The mol-ecule is close to planar (maximum deviation = 0.044?Å), with one ethyl group at each side of the mol-ecular plane, with exception of the keto group at position 1 which is slightly deviated from the plane and disordered over two positions one on each side of it (occupancies 0.80/0.20). The packing of the mol-ecule shows weak bonded chains along a through C-H?O contacts and two intramolecular C-H?O interactions are also present.

SUBMITTER: Vega A

PROVIDER: S-EPMC2968259 | biostudies-literature | 2009 Jan

REPOSITORIES: biostudies-literature

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8,8-Diethyl-1,4,5,8-tetra-hydro-naphthalene-1,4,5-trione.

Vega Andrés A Ramirez-Rodríguez Oney O Martínez-Cifuentes Maximiliano M Ibañez Andrés A Araya-Maturana Ramiro R

Acta crystallographica. Section E, Structure reports online 20090117 Pt 2

The title mol-ecule, C(14)H(14)O(3), contains two fused six-membered carbon rings with keto groups at positions 1, 4 and 5 and a gem-diethyl group at position 8. The mol-ecule is close to planar (maximum deviation = 0.044 Å), with one ethyl group at each side of the mol-ecular plane, with exception of the keto group at position 1 which is slightly deviated from the plane and disordered over two positions one on each side of it (occupancies 0.80/0.20). The packing of the mol-ecule shows weak bond ...[more]

PMID: 21581946

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