Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782220123719860224 |
---|---|
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]. |
format | Online Article Text |
id | pubmed-3247510 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT elemamalia 2benzylsulfanyl4pentyl6phenylsulfanylpyrimidine5carbonitrile AT aldeebomara 2benzylsulfanyl4pentyl6phenylsulfanylpyrimidine5carbonitrile AT alturkistaniabdulghafoora 2benzylsulfanyl4pentyl6phenylsulfanylpyrimidine5carbonitrile AT ngseikweng 2benzylsulfanyl4pentyl6phenylsulfanylpyrimidine5carbonitrile AT tiekinkedwardrt 2benzylsulfanyl4pentyl6phenylsulfanylpyrimidine5carbonitrile |