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

In the title molecule, C7H8ClN3O, the pyrazine and amide groups are almost co-planar [N-C-C-N torsion angle = -2.4 (2) degrees], a conformation stabilized by an intramolecular N-H center dot center dot center dot N hydrogen bond. The chloroethyl group lies out of the plane [N-C-C-Cl = -65.06 (17) de...

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Main Authors: da Silva Lima, C.H., de Souza, M.V.N., Wardell, S.M.S.V., Wardell, J.L., Tiekink, E.R.T.
Format: Article
Published: International Union of Crystallography 2010
Subjects:
Q Science (General)
Online Access:http://eprints.um.edu.my/12011/
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spelling my.um.eprints.120112019-01-31T01:53:59Z http://eprints.um.edu.my/12011/ N-(2-Chloroethyl)pyrazine-2-carboxamide da Silva Lima, C.H. de Souza, M.V.N. Wardell, S.M.S.V. Wardell, J.L. Tiekink, E.R.T. Q Science (General) In the title molecule, C7H8ClN3O, the pyrazine and amide groups are almost co-planar [N-C-C-N torsion angle = -2.4 (2) degrees], a conformation stabilized by an intramolecular N-H center dot center dot center dot N hydrogen bond. The chloroethyl group lies out of the plane [N-C-C-Cl = -65.06 (17) degrees]. In the crystal, the presence of N-H center dot center dot center dot 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 center dot center dot center dot O interactions. These, plus Cl center dot center dot center dot Cl short contacts [3.3653 (6) angstrom], consolidate the packing of the chains in the crystal. International Union of Crystallography 2010 Article PeerReviewed da Silva Lima, C.H. and de Souza, M.V.N. and Wardell, S.M.S.V. and Wardell, J.L. and Tiekink, E.R.T. (2010) N-(2-Chloroethyl)pyrazine-2-carboxamide. Acta Crystallographica Section E: Structure Reports Online, 66 (11). O2886-U819. ISSN 1600-5368
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic Q Science (General)
spellingShingle Q Science (General)
da Silva Lima, C.H.
de Souza, M.V.N.
Wardell, S.M.S.V.
Wardell, J.L.
Tiekink, E.R.T.
N-(2-Chloroethyl)pyrazine-2-carboxamide
description In the title molecule, C7H8ClN3O, the pyrazine and amide groups are almost co-planar [N-C-C-N torsion angle = -2.4 (2) degrees], a conformation stabilized by an intramolecular N-H center dot center dot center dot N hydrogen bond. The chloroethyl group lies out of the plane [N-C-C-Cl = -65.06 (17) degrees]. In the crystal, the presence of N-H center dot center dot center dot 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 center dot center dot center dot O interactions. These, plus Cl center dot center dot center dot Cl short contacts [3.3653 (6) angstrom], consolidate the packing of the chains in the crystal.
format Article
author da Silva Lima, C.H.
de Souza, M.V.N.
Wardell, S.M.S.V.
Wardell, J.L.
Tiekink, E.R.T.
author_facet da Silva Lima, C.H.
de Souza, M.V.N.
Wardell, S.M.S.V.
Wardell, J.L.
Tiekink, E.R.T.
author_sort da Silva Lima, C.H.
title N-(2-Chloroethyl)pyrazine-2-carboxamide
title_short 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_sort n-(2-chloroethyl)pyrazine-2-carboxamide
publisher International Union of Crystallography
publishDate 2010
url http://eprints.um.edu.my/12011/
_version_ 1643689197075169280
score 13.159267

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