Co^II-catalysed synthesis of N-(4-meth-oxy-phen-yl)-5-(pyridin-4-yl)-1,3,4-oxa-diazol-2-amine hemi-hydro-chloride monohydrate.

ABSTRACT: The title compound, C₁₄H₁₂N₄O₂·0.5HCl·H₂O or H(C₁₄H₁₂N₄O₂)₂ ⁺·Cl^-·2H₂O, arose from the unexpected cyclization of isonicotinoyl-N-phenyl hydrazine carbo-thio-amide catalysed by cobalt(II) acetate. The organic mol-ecule is almost planar and a symmetric N⋯H⁺⋯N hydrogen bond links two of them together, with the H atom lying on a crystallographic twofold axis. The extended structure features N-H⋯O and O-H⋯Cl hydrogen bonds, which generate [001] chains. Weak C-H⋯Cl inter-actions cross-link the chains. The chloride ion has site symmetry 2. The major contributions to the Hirshfeld surface are from H⋯H (47.1%), Cl⋯H/H⋯Cl (total 10.8%), O⋯H/

SUBMITTER: Gautam RN 

PROVIDER: S-EPMC10993596 | biostudies-literature | 2024 Mar

REPOSITORIES: biostudies-literature