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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...

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Autores principales: Al-Salahi, Rashad, Marzouk, Mohamed, Al-Omar, Mohamed A., Amr, Abd El-Galil E., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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].
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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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