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Benzene-1,3,5-triyl triacetate

The asymmetric unit of the title compound, C(12)H(12)O(6), contains two essentially identical mol­ecules related by a pseudo-inversion centre. The three acet­oxy groups in each mol­ecule are essentially planar and are tilted, in a regular propeller-style arrangement, with their normals oriented betw...

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Detalles Bibliográficos
Autores principales: Haines, Alan H., Hughes, David L.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971848/
https://www.ncbi.nlm.nih.gov/pubmed/21578972
http://dx.doi.org/10.1107/S1600536809050016
Descripción
Sumario:The asymmetric unit of the title compound, C(12)H(12)O(6), contains two essentially identical mol­ecules related by a pseudo-inversion centre. The three acet­oxy groups in each mol­ecule are essentially planar and are tilted, in a regular propeller-style arrangement, with their normals oriented between 56.72 (12) and 76.35 (9)° from the normal to the mean plane of the central C(6) ring; in each mol­ecule the three carbonyl O atoms are on the same side of the C(6) ring, with the C(ring)—O—C—Me bonds in a trans conformation. The principal inter­molecular contacts appear to be C—H⋯π-ring inter­actions; each C(6) ring has such a contact to both faces of the ring; in addition, each mol­ecule has two inter­molecular C—H⋯O contacts with H⋯O distances less than 2.55 Å.