Co-crystals of an agrochemical active A pyridine-amine synthon for a thioamide group
Nauha, E., & Nissinen, M. (2011). Co-crystals of an agrochemical active – A pyridine-amine synthon for a thioamide group. Journal of Molecular Structure, 1006 (1-3), 566-569. doi:10.1016/j.molstruc.2011.10.004
Published inJournal of Molecular Structure
© 2011 Elsevier B.V. All rights reserved. This is an electronic final draft version of an article whose final and definitive form has been published in Journal of Molecular Structure by Elsevier.
Five novel co-crystals of thiophanate-ethyl (TE), an agrochemical active, with di(2-pyridyl)ketone (1), 2-benzoylpyridine (2), 3-benzoylpyridine (3), 4-phenylpyridine (4) and biphenyl (5) were found and crystal structures of four of them (TE1–TE3, TE5) solved by single crystal X-ray diffraction. Three of the co-crystals (TE1–TE3) form by way of a reliable pyridine-amine hydrogen bond synthon and one (TE5) because of close packing effects. The fifth co-crystal was identified by X-ray powder diffraction. The work demonstrates the usage of a reliable supramolecular synthon for crystal engineering, while concurrently reminds that the close packing of even very similar molecules cannot be fully predicted.