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A rare case of polymorphism in a three-component co-crystal system, with each polymorph having ten independent molecules in the asymmetric unit

Yan, Yuncheng, Hughes, Colan Evan, Kariuki, Benson and Harris, Kenneth David Maclean 2013. A rare case of polymorphism in a three-component co-crystal system, with each polymorph having ten independent molecules in the asymmetric unit. Crystal Growth and Design 13 (1) , pp. 27-30. 10.1021/cg3016035

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Abstract

We report polymorphism in a co-crystal system comprising trimesic acid (benzene-1,3,5-tricarboxylic acid, TMA), tert-butylamine (TBA), and methanol with stoichiometry (TMA)2(TBA)5(methanol)3. The crystal structure of each polymorph (determined from single-crystal X-ray diffraction) is shown to have 10 independent molecules in the asymmetric unit. In each polymorph, all five TBA molecules in the asymmetric unit exist as protonated cations, whereas, of the two TMA molecules in the asymmetric unit, one exists as the doubly deprotonated anion and the other exists as the triply deprotonated anion. In each case, the structure is based on an extensively hydrogen-bonded two-dimensional network involving the −N+H3 groups of TBA cations, the −CO2– and −CO2H groups of TMA anions, and the OH groups of methanol molecules. Although the two polymorphs share some structural features in common, there are nevertheless significant differences in several aspects, including differences in some of the hydrogen-bonding motifs. Among polymorphic systems reported previously, there are very few examples for which two polymorphs have 10 or more independent molecules in the asymmetric unit and very few examples of co-crystals comprising three or more distinct organic molecules. From both of these perspectives, the example of polymorphism reported here can be considered very rare.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Subjects: Q Science > QD Chemistry
Publisher: American Chemical Society
ISSN: 1528-7483
Last Modified: 04 Jun 2017 04:41
URI: http://orca-mwe.cf.ac.uk/id/eprint/42883

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