6533b855fe1ef96bd12b144c

RESEARCH PRODUCT

Co-crystals of an agrochemical active – A pyridine-amine synthon for a thioamide group

Elisa NauhaMaija Nissinen

subject

röntgen diffraktiochemistry.chemical_classificationyhteiskideHydrogen bondStereochemistryOrganic ChemistrySynthonSupramolecular chemistrysupramolecular synthonCrystal structureCrystal engineeringco-crystalsupramolekyyliX-ray diffractionAnalytical ChemistryInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryX-ray crystallographyPyridinecocrystalta116SpectroscopyThioamide

description

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. peerReviewed

yearjournalcountryeditionlanguage
2011-12-01Journal of Molecular Structure
https://doi.org/10.1016/j.molstruc.2011.10.004