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

The title compound, C(12)H(14)N(6)O, 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 hydr...

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Autores principales: Lyubartseva, Ganna, Parkin, Sean, Coleman, Morgan D., Mallik, Uma Prasad
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186097/
https://www.ncbi.nlm.nih.gov/pubmed/25309218
http://dx.doi.org/10.1107/S1600536814018789
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author Lyubartseva, Ganna
Parkin, Sean
Coleman, Morgan D.
Mallik, Uma Prasad
author_facet Lyubartseva, Ganna
Parkin, Sean
Coleman, Morgan D.
Mallik, Uma Prasad
author_sort Lyubartseva, Ganna
collection PubMed
description The title compound, C(12)H(14)N(6)O, 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.
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spelling pubmed-41860972014-10-12 Crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane Lyubartseva, Ganna Parkin, Sean Coleman, Morgan D. Mallik, Uma Prasad Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(12)H(14)N(6)O, 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. International Union of Crystallography 2014-08-23 /pmc/articles/PMC4186097/ /pubmed/25309218 http://dx.doi.org/10.1107/S1600536814018789 Text en © Lyubartseva et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ 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.
spellingShingle Data Reports
Lyubartseva, Ganna
Parkin, Sean
Coleman, Morgan D.
Mallik, Uma Prasad
Crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane
title Crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane
title_full Crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane
title_fullStr Crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane
title_full_unstemmed Crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane
title_short Crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane
title_sort crystal structure of 1-meth­oxy-2,2,2-tris­(pyrazol-1-yl)ethane
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186097/
https://www.ncbi.nlm.nih.gov/pubmed/25309218
http://dx.doi.org/10.1107/S1600536814018789
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