Crystal structure of 1,4-bis[5-(2-methoxyphenyl)-2H-tetrazol-2-yl]butane

Abstract

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 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 butylene group that connects two identical phenyl tetrazole moieties. The butylene group is attached not to the first but the second nitrogen atoms of both tetrazole rings. The dihedral angles between the phenyl groups and the adjacent tetrazolyl rings are 5.32 (6) and 15.37 (7)°. In the crystal, the molecules form centrosymmetric dimers through C—H...O hydrogen bonds between a C—H group of the butylene linker and the O atom of a methoxy group.

Keywords

• crystal structure
• tetrazole
• bis-tetrazolyl
• methoxylphenyl tetrazole