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Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine

The title compound, C(13)H(12)ClN(5), was synthesized by the cyclization of 1-(4,6-di­methyl­pyrimidin-2-yl)-4-phenyl­thio­semicarbazide in the presence of Ni(NO(3))(2). The mol­ecular structure of the compound is essentially planar. In the crystal, mol­ecules form dimers via pairs of N—H⋯N hydrogen...

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Autores principales: Repich, Hlib, Orysyk, Svitlana, Savytskyi, Pavlo, Pekhnyo, Vasyl
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209766/
https://www.ncbi.nlm.nih.gov/pubmed/28083130
http://dx.doi.org/10.1107/S2056989016019629
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author Repich, Hlib
Orysyk, Svitlana
Savytskyi, Pavlo
Pekhnyo, Vasyl
author_facet Repich, Hlib
Orysyk, Svitlana
Savytskyi, Pavlo
Pekhnyo, Vasyl
author_sort Repich, Hlib
collection PubMed
description The title compound, C(13)H(12)ClN(5), was synthesized by the cyclization of 1-(4,6-di­methyl­pyrimidin-2-yl)-4-phenyl­thio­semicarbazide in the presence of Ni(NO(3))(2). The mol­ecular structure of the compound is essentially planar. In the crystal, mol­ecules form dimers via pairs of N—H⋯N hydrogen bonds between the H atom of the exocyclic amino group and the N atom at the 4-position of the triazole ring. The resulting dimers are packed into layers which are connected by π-stacking inter­actions between the aromatic systems of the pyrimidine and benzene nuclei, and between the triazole cores.
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spelling pubmed-52097662017-01-12 Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine Repich, Hlib Orysyk, Svitlana Savytskyi, Pavlo Pekhnyo, Vasyl Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(13)H(12)ClN(5), was synthesized by the cyclization of 1-(4,6-di­methyl­pyrimidin-2-yl)-4-phenyl­thio­semicarbazide in the presence of Ni(NO(3))(2). The mol­ecular structure of the compound is essentially planar. In the crystal, mol­ecules form dimers via pairs of N—H⋯N hydrogen bonds between the H atom of the exocyclic amino group and the N atom at the 4-position of the triazole ring. The resulting dimers are packed into layers which are connected by π-stacking inter­actions between the aromatic systems of the pyrimidine and benzene nuclei, and between the triazole cores. International Union of Crystallography 2017-01-01 /pmc/articles/PMC5209766/ /pubmed/28083130 http://dx.doi.org/10.1107/S2056989016019629 Text en © Repich et al. 2017 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 Research Communications
Repich, Hlib
Orysyk, Svitlana
Savytskyi, Pavlo
Pekhnyo, Vasyl
Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine
title Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine
title_full Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine
title_fullStr Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine
title_full_unstemmed Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine
title_short Synthesis and crystal structure of N-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine
title_sort synthesis and crystal structure of n-(4-chloro­phen­yl)-5,7-dimethyl-1,2,4-triazolo[1,5-a]pyrimidin-2-amine
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5209766/
https://www.ncbi.nlm.nih.gov/pubmed/28083130
http://dx.doi.org/10.1107/S2056989016019629
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