Cargando…

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

The title compound, C(20)H(22)N(8)O(2), 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 stu...

Descripción completa

Detalles Bibliográficos
Autores principales: Byun, Young Min, Ume, Farwa, Ryu, Ji Yeon, Lee, Junseong, Park, Hyoung-Ryun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895957/
https://www.ncbi.nlm.nih.gov/pubmed/31871742
http://dx.doi.org/10.1107/S2056989019014877
Descripción
Sumario:The title compound, C(20)H(22)N(8)O(2), 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 P2(1)/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.