Benzene-1,3,5-triyl triacetate

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

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Veröffentlicht in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2009-11, Vol.65 (Pt 12), p.o3279-o3279
Hauptverfasser: Haines, Alan H, Hughes, David L
Format: Artikel
Sprache:eng
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Zusammenfassung:The asymmetric unit of the title compound, C(12)H(12)O(6), contains two essentially identical mol-ecules related by a pseudo-inversion centre. The three acet-oxy groups in each mol-ecule 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 mol-ecule 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 inter-molecular contacts appear to be C-H⋯π-ring inter-actions; each C(6) ring has such a contact to both faces of the ring; in addition, each mol-ecule has two inter-molecular C-H⋯O contacts with H⋯O distances less than 2.55 Å.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536809050016