Cargando…

Dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison

In dimethyl 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carboxyl­ate, C(18)H(14)N(4)O(4), (I), and diethyl 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carboxyl­ate, C(20)H(18)N(4)O(4), (II), the dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid, the orientation of the two py...

Descripción completa

Detalles Bibliográficos
Autores principales: Alfonso, Montserrat, Stoeckli-Evans, Helen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770964/
https://www.ncbi.nlm.nih.gov/pubmed/26958396
http://dx.doi.org/10.1107/S2056989016001080
_version_ 1782418348387074048
author Alfonso, Montserrat
Stoeckli-Evans, Helen
author_facet Alfonso, Montserrat
Stoeckli-Evans, Helen
author_sort Alfonso, Montserrat
collection PubMed
description In dimethyl 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carboxyl­ate, C(18)H(14)N(4)O(4), (I), and diethyl 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carboxyl­ate, C(20)H(18)N(4)O(4), (II), the dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid, the orientation of the two pyridine rings differ. In (I), pyridine ring B is inclined to pyrazine ring A by 44.8 (2)° and the pyridine and pyrazine N atoms are trans to one another, while pyridine ring C is inclined to the pyrazine ring by 50.3 (2)°, with the pyridine and pyrazine N atoms cis to one another. In compound (II), the diethyl ester, which possesses twofold rotation symmetry, the pyridine ring is inclined to the pyrazine ring by 40.7 (1)°, with the pyridine and pyrazine N atoms trans to one another. In the crystal of (I), mol­ecules are linked by C—H⋯N hydrogen bonds, forming chains along [001]. The chains are linked by C—H⋯π inter­actions, forming a three-dimensional structure. In the crystal of (II), mol­ecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional framework. There are C—H⋯π inter­actions present within the framework.
format Online
Article
Text
id pubmed-4770964
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-47709642016-03-08 Dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison Alfonso, Montserrat Stoeckli-Evans, Helen Acta Crystallogr E Crystallogr Commun Research Communications In dimethyl 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carboxyl­ate, C(18)H(14)N(4)O(4), (I), and diethyl 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carboxyl­ate, C(20)H(18)N(4)O(4), (II), the dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid, the orientation of the two pyridine rings differ. In (I), pyridine ring B is inclined to pyrazine ring A by 44.8 (2)° and the pyridine and pyrazine N atoms are trans to one another, while pyridine ring C is inclined to the pyrazine ring by 50.3 (2)°, with the pyridine and pyrazine N atoms cis to one another. In compound (II), the diethyl ester, which possesses twofold rotation symmetry, the pyridine ring is inclined to the pyrazine ring by 40.7 (1)°, with the pyridine and pyrazine N atoms trans to one another. In the crystal of (I), mol­ecules are linked by C—H⋯N hydrogen bonds, forming chains along [001]. The chains are linked by C—H⋯π inter­actions, forming a three-dimensional structure. In the crystal of (II), mol­ecules are linked via C—H⋯O hydrogen bonds, forming a three-dimensional framework. There are C—H⋯π inter­actions present within the framework. International Union of Crystallography 2016-01-27 /pmc/articles/PMC4770964/ /pubmed/26958396 http://dx.doi.org/10.1107/S2056989016001080 Text en © Alfonso and Stoeckli-Evans 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Alfonso, Montserrat
Stoeckli-Evans, Helen
Dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison
title Dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison
title_full Dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison
title_fullStr Dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison
title_full_unstemmed Dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison
title_short Dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison
title_sort dimethyl and diethyl esters of 5,6-bis­(pyridin-2-yl)pyrazine-2,3-di­carb­oxy­lic acid: a comparison
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770964/
https://www.ncbi.nlm.nih.gov/pubmed/26958396
http://dx.doi.org/10.1107/S2056989016001080
work_keys_str_mv AT alfonsomontserrat dimethylanddiethylestersof56bispyridin2ylpyrazine23dicarboxylicacidacomparison
AT stoecklievanshelen dimethylanddiethylestersof56bispyridin2ylpyrazine23dicarboxylicacidacomparison