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2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one
In the title compound, C(10)H(7)N(3)OS(2), the 16 non-H atoms are almost planar (r.m.s. deviation = 0.037 Å) and the S-bound methyl group is syn to the ketone O atom. In the crystal, centrosymmetrically related molecules are connected by pairs of C—H⋯O interactions between the ketone O and methyl...
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/PMC3393945/ https://www.ncbi.nlm.nih.gov/pubmed/22798810 http://dx.doi.org/10.1107/S1600536812026189 |
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author | El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Al-Swaidan, Ibrahim A. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Al-Swaidan, Ibrahim A. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | El-Azab, Adel S. |
collection | PubMed |
description | In the title compound, C(10)H(7)N(3)OS(2), the 16 non-H atoms are almost planar (r.m.s. deviation = 0.037 Å) and the S-bound methyl group is syn to the ketone O atom. In the crystal, centrosymmetrically related molecules are connected by pairs of C—H⋯O interactions between the ketone O and methyl H atoms. The dimeric aggregates are connected into a linear supramolecular chain along the b axis via π–π interactions occurring between the five-membered and benzene rings [centroid–centroid distance = 3.6123 (9) Å]. The chains assemble into layers in the bc plane via S⋯S interactions involving the endocyclic S atoms [S⋯S = 3.4607 (6) and 3.4792 (6) Å]. |
format | Online Article Text |
id | pubmed-3393945 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33939452012-07-13 2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Al-Swaidan, Ibrahim A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(10)H(7)N(3)OS(2), the 16 non-H atoms are almost planar (r.m.s. deviation = 0.037 Å) and the S-bound methyl group is syn to the ketone O atom. In the crystal, centrosymmetrically related molecules are connected by pairs of C—H⋯O interactions between the ketone O and methyl H atoms. The dimeric aggregates are connected into a linear supramolecular chain along the b axis via π–π interactions occurring between the five-membered and benzene rings [centroid–centroid distance = 3.6123 (9) Å]. The chains assemble into layers in the bc plane via S⋯S interactions involving the endocyclic S atoms [S⋯S = 3.4607 (6) and 3.4792 (6) Å]. International Union of Crystallography 2012-06-20 /pmc/articles/PMC3393945/ /pubmed/22798810 http://dx.doi.org/10.1107/S1600536812026189 Text en © El-Azab 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-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Al-Swaidan, Ibrahim A. Ng, Seik Weng Tiekink, Edward R. T. 2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one |
title | 2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one |
title_full | 2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one |
title_fullStr | 2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one |
title_full_unstemmed | 2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one |
title_short | 2-Methylsulfanyl-9H-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one |
title_sort | 2-methylsulfanyl-9h-1,3,4-thiadiazolo[2,3-b]quinazolin-9-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393945/ https://www.ncbi.nlm.nih.gov/pubmed/22798810 http://dx.doi.org/10.1107/S1600536812026189 |
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