Crystal structure of 1,4-bis-[5-(2-meth-oxy-phen-yl)-2H-tetra-zol-2-yl]butane.

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作者:Byun Young Min, Ume Farwa, Ryu Ji Yeon, Lee Junseong, Park Hyoung-Ryun
The title compound, C(20)H(22)N(8)O(2), 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 P2(1)/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.

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