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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5209766 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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