In the structure of the title co-crystal, CHNO·CHN, the components are linked by a set of directional O-H⋯N, N-H⋯O, N-H⋯N and C-H⋯O hydrogen bonds to yield a two-dimensional mono-periodic arrangement. The structure propagates in the third dimension by extensive π-π stacking inter-actions of nearly parallel mol-ecules of the two components, following an alternating sequence. The primary structure-defining inter-action is very strong oxime-OH donor to pyrazole-N acceptor hydrogen bond [O⋯N = 2.587 (2) Å], while the significance of weaker hydrogen bonds and π-π stacking inter-actions is comparable. The distinct structural roles of different kinds of inter-actions agree with the results of a Hirshfeld surface analysis and calculated inter-action energies. The title compound provides insights into co-crystals of active agrochemical mol-ecules and features the rational integration in one structure of a fungicide, CHNO, and a second active component, CHN, known for alleviation the toxic effects of fungicides on plants. The material appears to be well suited for practical uses, being non-volatile, air-stable, water-soluble, but neither hygroscopic nor efflorescent.
Download full-text PDF |
Source |
---|---|
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11074577 | PMC |
http://dx.doi.org/10.1107/S2056989024002809 | DOI Listing |
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!