Abstract
The title compound, C10H10N4O3, was synthesized by the esterification of hy-droxy-phenyl tetra-zole. There is an intra-molecular O-H⋯N hydrogen bond present involving the hy-droxy group and the tetra-zole ring. The tetra-zole ring is inclined to the phenol ring by 2.85 (13)°, while the methyl acetate group is almost normal to the tetra-zole ring, making a dihedral angle of 82.61 (14)°. In the crystal, mol-ecules are linked by pairs of C-H⋯O hydrogen bonds, forming inversion dimers. Within the dimers, the phenol rings are linked by offset π-π inter-actions [inter-centroid distance = 3.759 (2) Å]. There are no further significant inter-molecular inter-actions present in the crystal. The hy-droxy group is disordered about positions 2 and 6 on the benzene ring, with a refined occupancy ratio of 0.531 (5):0.469 (5).
Highlights
The title compound, C10H10N4O3, was synthesized by the esterification of hydroxyphenyl tetrazole
As part of a project on the study of the substitution effects on the tetrazole ring on the self-assembly behaviour in solution, as well as in the solid state, we have synthesized a number of substituted hydroxyphenyl tetrazole complexes
The synthesis and crystal structure of this compound
Summary
Tetrazole ligands are useful building blocks for the construction of high-dimensional metal–organic frameworks by providing various binding modes toward metal centers (Karaghiosoff et al, 2009; Liu et al, 2013). We have used 5-(2-hydroxyphenyl)tetrazole as a chelating multidentate ligand and reported several interesting compounds (Park et al, 2015; 2014). It provides strong [N,O] chelation to metal centers with various additional binding modes. The reaction between hydroxyphenyl tetrazole and bromo acetate methyl ester in the presence of potassium carbonate gave three isomeric products. The major product was isolated and its molecular structure was determined unambiguously by X-ray crystallography. The synthesis and crystal structure of this compound.
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