Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1006, Issue 1-3, Pages 566-569Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2011.10.004
Keywords
Co-crystal; Synthon; Agrochemical; Thioamide; X-ray diffraction
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Funding
- Academy of Finland [116503]
- University of Jyvaskyla
- Academy of Finland (AKA) [116503, 116503] Funding Source: Academy of Finland (AKA)
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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. (C) 2011 Elsevier B.V. All rights reserved.
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