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8,8-Diethyl-1,4,5,8-tetrahydronaphthalene-1,4,5-trione

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IconMolecule VEGA, 2009.pdf (760.8Kb)
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2009-02
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Vega, Andrés
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8,8-Diethyl-1,4,5,8-tetrahydronaphthalene-1,4,5-trione
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Author
  • Vega, Andrés;
  • Ramírez Rodríguez, Oney;
  • Martínez Cifuentes, Maximiliano;
  • Ibáñez, Andrés;
  • Araya Maturana, Ramiro;
Abstract
The title molecule, C14H14O3, 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 molecule is close to planar (maximum deviation = 0.044 angstrom), with one ethyl group at each side of the molecular 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 molecule shows weak bonded chains along a through C-H center dot center dot center dot O contacts and two intramolecular C-H center dot center dot center dot O interactions are also present.
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URI: https://repositorio.uchile.cl/handle/2250/120958
ISSN: 1600-5368
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ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE 65 Pages: O345-U2358 Part: 2
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