Abstract
The title compound, C20H22N8O2, was synthesized by the coupling reaction of a sodium tetra-zolate salt and di-bromo-butane in a molar ratio of 2:1. The reaction can produce several possible regioisomers and the title compound was separated as the major product. The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P21/c space group and possesses a bridging butyl-ene group that connects two identical phenyl tetra-zole moieties. The butyl-ene group is attached not to the first but the second nitro-gen atoms of both tetra-zole rings. The dihedral angles between the phenyl groups and the adjacent tetra-zolyl rings are 5.32 (6) and 15.37 (7)°. In the crystal, the mol-ecules form centrosymmetric dimers through C-H⋯O hydrogen bonds between a C-H group of the butyl-ene linker and the O atom of a meth-oxy group.
Highlights
The title compound, C20H22N8O2, was synthesized by the coupling reaction of a sodium tetrazolate salt and dibromobutane in a molar ratio of 2:1
The X-ray crystallographic study confirmed that the title compound crystallizes in the monoclinic P21/c space group and possesses a bridging butylene group that connects two identical phenyl tetrazole moieties
The dihedral angles between the phenyl groups and the adjacent tetrazolyl rings are 5.32 (6) and 15.37 (7)
Summary
Tetrazole ligands have four nitrogen atoms in their fivemembered rings and the lone pairs of these nitrogen atoms are useful for coordination bonds with metal ions (Zhao et al, 2008). It is worth noting that tetrazole has two different resonance structures in which the hydrogen atoms are located at either the N1 or N2 positions. In many cases, this results in the formation of several products (Lee et al, 2017). These interactions may contribute to the planarity of the phenyltetrazolyl units
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