Crystal Structure of 1-methoxy-2,2,2-tris(pyrazol-1-yl)ethane

Authors

Ganna Lyubartseva, Southern Arkansas UniversityFollow
Sean Parkin, University of KentuckyFollow
Morgan D. Coleman, Southern Arkansas University
Uma Prasad Mallik, Southern Arkansas University

Abstract

The title compound, C₁₂H₁₄N₆O, consists of three pyrazole rings bound via nitro­gen to the distal ethane carbon of meth­oxy ethane. The dihedral angles between the three pyrazole rings are 67.62 (14), 73.74 (14), and 78.92 (12)°. In the crystal, mol­ecules are linked by bifurcated C—H,H⋯N hydrogen bonds, forming double-stranded chains along [001]. The chains are linked via C—H⋯O hydrogen bonds, forming a three-dimensional framework structure. The crystal was refined as a perfect (0.5:0.5) inversion twin.

Document Type

Article

Publication Date

9-2014

Notes/Citation Information

Published in Acta Crystallographica Section E: Crystallographic Communications, v. 70, part 9, p. o1047-o1048.

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.

Digital Object Identifier (DOI)

https://doi.org/10.1107/S1600536814018789

Funding Information

GL is grateful to the Southern Arkansas University Faculty Research Grant for financial support.

Related Content

Supporting information for this paper is available from the IUCr electronic archives (Reference: SU2774).

CCDC reference: 1019968

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536814018789/su2774sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536814018789/su2774Isup2.hkl

Supporting information file. DOI: 10.1107/S1600536814018789/su2774Isup3.cml

checkCIF report

3D view of crystallographic information

Repository Citation

Lyubartseva, Ganna; Parkin, Sean; Coleman, Morgan D.; and Mallik, Uma Prasad, "Crystal Structure of 1-methoxy-2,2,2-tris(pyrazol-1-yl)ethane" (2014). Chemistry Faculty Publications. 31.
https://uknowledge.uky.edu/chemistry_facpub/31