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2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione
In the title compound, C(10)H(8)N(4)S(2), comprising fused six-, six- and five-membered rings, the molecule is close to being planar (r.m.s. deviation of the non-H atoms = 0.041 Å). The S-bound methyl group is folded away from the single N atom of the triazole ring and the NH group of the six-membe...
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/PMC3588520/ https://www.ncbi.nlm.nih.gov/pubmed/23476605 http://dx.doi.org/10.1107/S1600536813004881 |
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author | Al-Salahi, Rashad Marzouk, Mohamed Al-Omar, Mohamed A. Amr, Abd El-Galil E. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | Al-Salahi, Rashad Marzouk, Mohamed Al-Omar, Mohamed A. Amr, Abd El-Galil E. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | Al-Salahi, Rashad |
collection | PubMed |
description | In the title compound, C(10)H(8)N(4)S(2), comprising fused six-, six- and five-membered rings, the molecule is close to being planar (r.m.s. deviation of the non-H atoms = 0.041 Å). The S-bound methyl group is folded away from the single N atom of the triazole ring and the NH group of the six-membered ring, allowing for the formation of centrosymmetric eight-membered {⋯HNCN}(2) synthons in the crystal. The resulting inversion dimers are connected into supramolecular stacks aligned along the b-axis direction by π–π interactions [centroid–centroid distances = 3.6531 (12) and 3.7182 (12) Å]. |
format | Online Article Text |
id | pubmed-3588520 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35885202013-03-08 2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione Al-Salahi, Rashad Marzouk, Mohamed Al-Omar, Mohamed A. Amr, Abd El-Galil E. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(8)N(4)S(2), comprising fused six-, six- and five-membered rings, the molecule is close to being planar (r.m.s. deviation of the non-H atoms = 0.041 Å). The S-bound methyl group is folded away from the single N atom of the triazole ring and the NH group of the six-membered ring, allowing for the formation of centrosymmetric eight-membered {⋯HNCN}(2) synthons in the crystal. The resulting inversion dimers are connected into supramolecular stacks aligned along the b-axis direction by π–π interactions [centroid–centroid distances = 3.6531 (12) and 3.7182 (12) Å]. International Union of Crystallography 2013-02-23 /pmc/articles/PMC3588520/ /pubmed/23476605 http://dx.doi.org/10.1107/S1600536813004881 Text en © Al-Salahi et al. 2013 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 Al-Salahi, Rashad Marzouk, Mohamed Al-Omar, Mohamed A. Amr, Abd El-Galil E. Ng, Seik Weng Tiekink, Edward R. T. 2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione |
title | 2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione |
title_full | 2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione |
title_fullStr | 2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione |
title_full_unstemmed | 2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione |
title_short | 2-Methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4H)-thione |
title_sort | 2-methylsulfanyl-1,2,4-triazolo[1,5-a]quinazoline-5(4h)-thione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588520/ https://www.ncbi.nlm.nih.gov/pubmed/23476605 http://dx.doi.org/10.1107/S1600536813004881 |
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