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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...

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Autores principales: El-Azab, Adel S., Abdel-Aziz, Alaa A.-M., Al-Swaidan, Ibrahim A., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
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].
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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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