Abstract
The nature of the inclusions in ten clathrate complexes of Dianin's compound have been investigated by the use of electron-density difference maps. The guest species are the first eight straight-chain carboxylic acids, formic to octanoic, a branched-chain acid (dimethylacetic acid) and trifluoroacetic acid. The point-group symmetry of the clathrate cavity, 3, is satisfied by partial occupation of symmetry-related sites by two included molecules in the case of formic, acetic and trifluoroacetic acids and by a single molecule in the remainder. Hydrogen-bonding requirements in the case of formic and acetic acids are satisfied by dimer formation; in the trifluoroacetic acid complex the two acid molecules form hydrogen bonds to framework O atoms at either end of the cavity. The adoption of gauche conformations in heptanoic and octanoic acid chains shortens them sufficiently that they fit the cavity with only slight distortion.
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Schedule a callMore From: Acta crystallographica. Section B, Structural science
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