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2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile

In the title pyrimidine derivative, C(23)H(23)N(3)S(2), the phenyl­sulfanyl and benzyl­sulfanyl benzene rings are orientated away from the carbonitrile group and are twisted out of the plane of the central ring with dihedral angles of 77.66 (6) and 64.73 (5)°, respectively. The n-pentyl group has an...

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Autores principales: El-Emam, Ali A., Al-Deeb, Omar A., Al-Turkistani, Abdulghafoor A., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247510/
https://www.ncbi.nlm.nih.gov/pubmed/22220128
http://dx.doi.org/10.1107/S1600536811044746
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author El-Emam, Ali A.
Al-Deeb, Omar A.
Al-Turkistani, Abdulghafoor A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet El-Emam, Ali A.
Al-Deeb, Omar A.
Al-Turkistani, Abdulghafoor A.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort El-Emam, Ali A.
collection PubMed
description In the title pyrimidine derivative, C(23)H(23)N(3)S(2), the phenyl­sulfanyl and benzyl­sulfanyl benzene rings are orientated away from the carbonitrile group and are twisted out of the plane of the central ring with dihedral angles of 77.66 (6) and 64.73 (5)°, respectively. The n-pentyl group has an extended trans conformation. In the crystal, supra­molecular layers in the ab plane are sustained by C—H⋯π and π–π inter­actions [pyrimidine–phenyl­sulfanyl centroid–centroid distance = 3.8087 (7) Å].
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spelling pubmed-32475102012-01-04 2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile El-Emam, Ali A. Al-Deeb, Omar A. Al-Turkistani, Abdulghafoor A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title pyrimidine derivative, C(23)H(23)N(3)S(2), the phenyl­sulfanyl and benzyl­sulfanyl benzene rings are orientated away from the carbonitrile group and are twisted out of the plane of the central ring with dihedral angles of 77.66 (6) and 64.73 (5)°, respectively. The n-pentyl group has an extended trans conformation. In the crystal, supra­molecular layers in the ab plane are sustained by C—H⋯π and π–π inter­actions [pyrimidine–phenyl­sulfanyl centroid–centroid distance = 3.8087 (7) Å]. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247510/ /pubmed/22220128 http://dx.doi.org/10.1107/S1600536811044746 Text en © El-Emam et al. 2011 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.
Al-Deeb, Omar A.
Al-Turkistani, Abdulghafoor A.
Ng, Seik Weng
Tiekink, Edward R. T.
2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile
title 2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile
title_full 2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile
title_fullStr 2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile
title_full_unstemmed 2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile
title_short 2-Benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile
title_sort 2-benzyl­sulfanyl-4-pentyl-6-(phenyl­sulfan­yl)pyrimidine-5-carbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247510/
https://www.ncbi.nlm.nih.gov/pubmed/22220128
http://dx.doi.org/10.1107/S1600536811044746
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