N-(2-Chloro­eth­yl)pyrazine-2-carboxamide

In the title mol­ecule, C(7)H(8)ClN(3)O, the pyrazine and amide groups are almost co-planar [N—C—C—N torsion angle = −2.4 (2) °], a conformation stabilized by an intra­molecular N—H⋯N hydrogen bond. The chloro­ethyl group lies out of the plane [N—C—C—Cl = −65.06 (17) °]. In the crystal, the presence...

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Detalles Bibliográficos
Autores principales: da Silva Lima, Camilo H., de Souza, Marcus V. N., Wardell, Solange M. S. V., Wardell, James L., Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009184/
https://www.ncbi.nlm.nih.gov/pubmed/21589067
http://dx.doi.org/10.1107/S1600536810041656
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author da Silva Lima, Camilo H.
de Souza, Marcus V. N.
Wardell, Solange M. S. V.
Wardell, James L.
Tiekink, Edward R. T.
author_facet da Silva Lima, Camilo H.
de Souza, Marcus V. N.
Wardell, Solange M. S. V.
Wardell, James L.
Tiekink, Edward R. T.
author_sort da Silva Lima, Camilo H.
collection PubMed
description In the title mol­ecule, C(7)H(8)ClN(3)O, the pyrazine and amide groups are almost co-planar [N—C—C—N torsion angle = −2.4 (2) °], a conformation stabilized by an intra­molecular N—H⋯N hydrogen bond. The chloro­ethyl group lies out of the plane [N—C—C—Cl = −65.06 (17) °]. In the crystal, the presence of N—H⋯N hydrogen bonds leads to the formation of a C(6) supra­molecular chain along the b axis. The carbonyl-O atom accepts two C—H⋯O inter­actions. These, plus Cl⋯Cl short contacts [3.3653 (6) Å], consolidate the packing of the chains in the crystal.
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spelling pubmed-30091842010-12-30 N-(2-Chloro­eth­yl)pyrazine-2-carboxamide da Silva Lima, Camilo H. de Souza, Marcus V. N. Wardell, Solange M. S. V. Wardell, James L. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(7)H(8)ClN(3)O, the pyrazine and amide groups are almost co-planar [N—C—C—N torsion angle = −2.4 (2) °], a conformation stabilized by an intra­molecular N—H⋯N hydrogen bond. The chloro­ethyl group lies out of the plane [N—C—C—Cl = −65.06 (17) °]. In the crystal, the presence of N—H⋯N hydrogen bonds leads to the formation of a C(6) supra­molecular chain along the b axis. The carbonyl-O atom accepts two C—H⋯O inter­actions. These, plus Cl⋯Cl short contacts [3.3653 (6) Å], consolidate the packing of the chains in the crystal. International Union of Crystallography 2010-10-23 /pmc/articles/PMC3009184/ /pubmed/21589067 http://dx.doi.org/10.1107/S1600536810041656 Text en © Silva Lima et al. 2010 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 Organic Papers
da Silva Lima, Camilo H.
de Souza, Marcus V. N.
Wardell, Solange M. S. V.
Wardell, James L.
Tiekink, Edward R. T.
N-(2-Chloro­eth­yl)pyrazine-2-carboxamide
title N-(2-Chloro­eth­yl)pyrazine-2-carboxamide
title_full N-(2-Chloro­eth­yl)pyrazine-2-carboxamide
title_fullStr N-(2-Chloro­eth­yl)pyrazine-2-carboxamide
title_full_unstemmed N-(2-Chloro­eth­yl)pyrazine-2-carboxamide
title_short N-(2-Chloro­eth­yl)pyrazine-2-carboxamide
title_sort n-(2-chloro­eth­yl)pyrazine-2-carboxamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009184/
https://www.ncbi.nlm.nih.gov/pubmed/21589067
http://dx.doi.org/10.1107/S1600536810041656
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