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3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione
In the title thione, C(26)H(36)N(6)OS, the 1,2,4-triazole ring is planar (r.m.s. deviation = 0.020 Å) and the benzene ring is twisted out of this plane [dihedral angle = 62.35 (12)°]. Supramolecular zigzag chains feature in the crystal packing. These are sustained by O—H⋯N(piperazine) hydrogen bond...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2012
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295449/ https://www.ncbi.nlm.nih.gov/pubmed/22412560 http://dx.doi.org/10.1107/S1600536812005107 |
| _version_ | 1782225580261900288 |
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| author | El-Emam, Ali A. Alrashood, Khalid A. Al-Tamimi, Abdul-Malek S. Ng, Seik Weng Tiekink, Edward R. T. |
| author_facet | El-Emam, Ali A. Alrashood, Khalid A. Al-Tamimi, Abdul-Malek S. Ng, Seik Weng Tiekink, Edward R. T. |
| author_sort | El-Emam, Ali A. |
| collection | PubMed |
| description | In the title thione, C(26)H(36)N(6)OS, the 1,2,4-triazole ring is planar (r.m.s. deviation = 0.020 Å) and the benzene ring is twisted out of this plane [dihedral angle = 62.35 (12)°]. Supramolecular zigzag chains feature in the crystal packing. These are sustained by O—H⋯N(piperazine) hydrogen bonds, and are connected into the three-dimensional crystal structure by C—H⋯S and C—H⋯O interactions. The crystal studied was a racemic twin. |
| format | Online Article Text |
| id | pubmed-3295449 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2012 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-32954492012-03-12 3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione El-Emam, Ali A. Alrashood, Khalid A. Al-Tamimi, Abdul-Malek S. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title thione, C(26)H(36)N(6)OS, the 1,2,4-triazole ring is planar (r.m.s. deviation = 0.020 Å) and the benzene ring is twisted out of this plane [dihedral angle = 62.35 (12)°]. Supramolecular zigzag chains feature in the crystal packing. These are sustained by O—H⋯N(piperazine) hydrogen bonds, and are connected into the three-dimensional crystal structure by C—H⋯S and C—H⋯O interactions. The crystal studied was a racemic twin. International Union of Crystallography 2012-02-10 /pmc/articles/PMC3295449/ /pubmed/22412560 http://dx.doi.org/10.1107/S1600536812005107 Text en © El-Emam et al. 2012 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. Alrashood, Khalid A. Al-Tamimi, Abdul-Malek S. Ng, Seik Weng Tiekink, Edward R. T. 3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione |
| title | 3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione |
| title_full | 3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione |
| title_fullStr | 3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione |
| title_full_unstemmed | 3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione |
| title_short | 3-(Adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(E)-(4-hydroxybenzylidene)amino]-1H-1,2,4-triazole-5(4H)-thione |
| title_sort | 3-(adamantan-1-yl)-1-[(4-ethylpiperazin-1-yl)methyl]-4-[(e)-(4-hydroxybenzylidene)amino]-1h-1,2,4-triazole-5(4h)-thione |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295449/ https://www.ncbi.nlm.nih.gov/pubmed/22412560 http://dx.doi.org/10.1107/S1600536812005107 |
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