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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International Union of Crystallography
2010
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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 |
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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 |
13.250246 |