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

Acta Crystallogr E Crystallogr Commun

Department of Chemistry, Chonnam National University, Gwangju, 61186, Republic of Korea.

Published: December 2019

The title compound, CHNO, 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 2/ 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.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895957PMC
http://dx.doi.org/10.1107/S2056989019014877DOI Listing

Publication Analysis

Top Keywords

title compound
12
butyl-ene group
8
group
5
crystal structure
4
structure 14-bis-[5-2-meth-oxy-phen-yl-2-tetra-zol-2-yl]butane
4
14-bis-[5-2-meth-oxy-phen-yl-2-tetra-zol-2-yl]butane title
4
compound chno
4
chno synthesized
4
synthesized coupling
4
coupling reaction
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!