Triclosan

abstract

The title compound [systematic name: 5-chloro-2-(2,4-dichlorophenoxy)phenol], C12H7Cl3O2, is a biologically relevant molecule with biocide activity. It crystallizes in the chiral trigonal space group P3(1) with one molecule in the asymmetric unit. As in biological adducts, the two aromatic rings are almost mutually perpendicular, with this structural feature leading to a distribution of the pendant -OH groups to maximize the formation of O-H center dot center dot center dot O hydrogen bonds. This arrangement leads to a chain of molecules running parallel to the c axis and having a C(2) graph-set motif at its core.

keywords

ENOYL REDUCTASE; CYCLODEXTRINS; COMPLEX; INCLUSION; AGENTS

subject category

Chemistry; Crystallography

authors

Ramos, AI; Braga, SS; Paz, FAA

our authors

acknowledgements

The authors are grateful to the Fundacao para a Ciencia e a Tecnologia (FCT, Portugal) for their general financial support and also for specific funding toward the purchase of the single-crystal diffractometer. AIR acknowledges the Associated Laboratory CICECO for a research grant.

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