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3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C(26)H(37)N(5)OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85 (9) and 59.41 (9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the molecule. An intramolecular C...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2013
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914072/ https://www.ncbi.nlm.nih.gov/pubmed/24526973 http://dx.doi.org/10.1107/S1600536813032789 |
| _version_ | 1782302338486108160 |
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| author | El-Emam, Ali A. Al-Tuwaijri, Hanaa M. Al-Abdullah, Ebtehal S. Chidan Kumar, C. S. Fun, Hoong-Kun |
| author_facet | El-Emam, Ali A. Al-Tuwaijri, Hanaa M. Al-Abdullah, Ebtehal S. Chidan Kumar, C. S. Fun, Hoong-Kun |
| author_sort | El-Emam, Ali A. |
| collection | PubMed |
| description | In the title compound, C(26)H(37)N(5)OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85 (9) and 59.41 (9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the molecule. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure features C—H⋯π interactions, producing a two-dimensional supramolecular architecture. |
| format | Online Article Text |
| id | pubmed-3914072 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2013 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-39140722014-02-13 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione El-Emam, Ali A. Al-Tuwaijri, Hanaa M. Al-Abdullah, Ebtehal S. Chidan Kumar, C. S. Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(26)H(37)N(5)OS, the piperazine ring adopts a chair conformation. The triazole ring forms dihedral angles of 67.85 (9) and 59.41 (9)° with the piperazine and benzene rings, respectively, resulting in an approximate V-shaped conformation for the molecule. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring motif. The crystal structure features C—H⋯π interactions, producing a two-dimensional supramolecular architecture. International Union of Crystallography 2013-12-07 /pmc/articles/PMC3914072/ /pubmed/24526973 http://dx.doi.org/10.1107/S1600536813032789 Text en © El-Emam et al. 2014 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 El-Emam, Ali A. Al-Tuwaijri, Hanaa M. Al-Abdullah, Ebtehal S. Chidan Kumar, C. S. Fun, Hoong-Kun 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione |
| title | 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione |
| title_full | 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione |
| title_fullStr | 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione |
| title_full_unstemmed | 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione |
| title_short | 3-(Adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1H-1,2,4-triazole-5(4H)-thione |
| title_sort | 3-(adamantan-1-yl)-4-ethyl-1-{[4-(2-methoxyphenyl)piperazin-1-yl]methyl}-1h-1,2,4-triazole-5(4h)-thione |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914072/ https://www.ncbi.nlm.nih.gov/pubmed/24526973 http://dx.doi.org/10.1107/S1600536813032789 |
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