Crystal structure of 3,6,6-trimethyl-4-oxo-1-(pyridin-2-yl)-4,5,6,7-tetra-hydro-1H-indazol-7-aminium chloride and its monohydrate.

ABSTRACT: The title compounds, C₁₅H₁₉N₄O⁺·Cl^- and C₁₅H₁₉N₄O⁺·Cl^-·H₂O, obtained in attempts to synthesize metal complexes using tetra-hydro-indazole as a ligand, were characterized by NMR, IR and X-ray diffraction techniques. The partially saturated ring in the tetra-hydro-indazole core adopts a sofa conformation. An intra-molecular N-H⋯N hydrogen bond formed by the protonated amino group and the N atom of the pyridyl substituent is found in the first structure. In the hydro-chloride, the organic moieties are linked by two N-H⋯Cl^- hydrogen bonds, forming a C(4) graph-set. In the hydrate crystal, a Cl^- anion and a water mol-ecule assemble the moieties in

SUBMITTER: Mishnev A 

PROVIDER: S-EPMC5730255 | biostudies-literature | 2017 Dec

REPOSITORIES: biostudies-literature