2025/09/25 by Kaycee Anoliefo, Kaitlyn Brown, Lana K. Hiscock +2 · 1 voice
Medicine · Chemistry · #Metal complexes synthesis and properties #Metal-Organic Frameworks: Synthesis and Applications #Synthesis and Characterization of Heterocyclic Compounds
paper · pdf · doi:10.1107/s205322962500823x
openalex publication_date 2025/09/25 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/23
Dissymmetric ligands have garnered interest due to their ability to simultaneously coordinate to multiple different acceptors. Herein, we report the synthesis of a dissymmetric thioether N , N ′-bidentate ligand, namely, 2-[(6-chloropyrimidin-4-yl)sulfanyl]pyrimidine-4,6-diamine (C 8 H 7 ClN 6 S, L1 ), along with its hydrated form (C 8 H 7 ClN 6 S·H 2 O). In addition, we describe the structure of a nitrate salt of the protonated ligand 4,6-diamino-2-[(6-chloropyrimidin-4-yl)sulfanyl]pyrimidin-1-ium nitrate, C 8 H 8 ClN 6 S + ·NO 3 − and a cobalt(II) complex of L1 (dichlorido2-[(6-chloropyrimidin-4-yl-κ N 3 )sulfanyl]pyrimidine-4,6-diamine-κ N 3 cobalt(II), [CoCl 2 (C 8 H 7 ClN 6 S)]). The structures of all four compounds were determined by single-crystal X-ray diffraction and Hirshfeld surface analyses were performed. These analyses reveal unengaged hydrogen-bond donors and acceptors in both the neutral ligand and its water solvate, while protonation or metal coordination induces a conformational change that enables full engagement of hydrogen-bond donors. These structural insights have implications for the molecular design of ligands in ion-sensing applications.