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Abstract
The asymmetric unit of the title compound, C12H12O6, 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 C6 ring; in each molecule the three carbonyl O atoms are on the same side of the C6 ring, with the Cring—O—C—Me bonds in a trans conformation. The principal intermolecular contacts appear to be C—H⋯π-ring interactions; each C6 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.
Highlights
The asymmetric unit of the title compound, C12H12O6, 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 C6 ring; in each molecule the three carbonyl O atoms are on the same side of the C6 ring, with the
Structural factors which enhance the solubility of organic compounds in liquid carbon dioxide are difficult to identify, but a knowledge of these is important in view of the possibility of using liquid carbon dioxide as an environmentally acceptable, cheap, safe and readily available alternative to replace organic-based solvents in the development of so-called
Summary
R factor = 0.065; wR factor = 0.196; data-to-parameter ratio = 12.5. The asymmetric unit of the title compound, C12H12O6, 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 C6 ring; in each molecule the three carbonyl O atoms are on the same side of the C6 ring, with the. The principal intermolecular contacts appear to be C—H -ring interactions; each C6 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
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