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Trimesic acid dimethyl sulfoxide solvate: space group revision.

ABSTRACT: The structure of the title solvate, C(9)H(6)O(6)·C(2)H(6)OS, was determined 30 years ago [Herbstein, Kapon & Wasserman (1978 ?). Acta Cryst. B34, 1613-1617], with data collected at room temperature, and refined in the space group P2(1). The present redetermination, based on high-resolution diffraction data, shows that the actual space group is more likely to be P2(1)/m. The crystal structure contains layers of trimesic acid molecules lying on mirror planes. A mirror plane also passes through the S and O atoms of the solvent molecule. The molecules in each layer are inter-connected through strong O-H?O hydrogen bonds, forming a two-dimensional supra-molecular network within each layer. The donor groups are the hydroxyls of the trimesic acid mol-ecules, while the acceptors are the carbonyl or the sulfoxide O atoms.

SUBMITTER: Bernes S

PROVIDER: S-EPMC2961820 | biostudies-other | 2008

REPOSITORIES: biostudies-other

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Trimesic acid dimethyl sulfoxide solvate: space group revision.

Bernès Sylvain S Hernández Guadalupe G Portillo Roberto R Gutiérrez René R

Acta crystallographica. Section E, Structure reports online 20080628 Pt 7

The structure of the title solvate, C(9)H(6)O(6)·C(2)H(6)OS, was determined 30 years ago [Herbstein, Kapon & Wasserman (1978 ▶). Acta Cryst. B34, 1613-1617], with data collected at room temperature, and refined in the space group P2(1). The present redetermination, based on high-resolution diffraction data, shows that the actual space group is more likely to be P2(1)/m. The crystal structure contains layers of trimesic acid molecules lying on mirror planes. A mirror plane also passes through the ...[more]

PMID: 21202984

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