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Benzene-1,3,5-triyl triacetate.

ABSTRACT: 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??-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.

SUBMITTER: Haines AH

PROVIDER: S-EPMC2971848 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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Benzene-1,3,5-triyl triacetate.

Haines Alan H AH Hughes David L DL

Acta crystallographica. Section E, Structure reports online 20091128 Pt 12

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 bo ...[more]

PMID: 21578972

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