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Crystal structure of 4-methylsulfanyl-2-phenylquinazoline
In the title compound, C(15)H(12)N(2)S, the methylthioquinazoline group is planar with the methyl C displaced by only 0.116 (3) Å from the plane of the quinazoline moiety. The dihedral angle between the phenyl ring and the quinazoline ring system is 13.95 (5)°. In the crystal, each molecule is linke...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158504/ https://www.ncbi.nlm.nih.gov/pubmed/25249928 http://dx.doi.org/10.1107/S1600536814015657 |
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author | Alshammari, Mohammed B. Smith, Keith Hegazy, Amany S. Kariuki, Benson M. El-Hiti, Gamal A. |
author_facet | Alshammari, Mohammed B. Smith, Keith Hegazy, Amany S. Kariuki, Benson M. El-Hiti, Gamal A. |
author_sort | Alshammari, Mohammed B. |
collection | PubMed |
description | In the title compound, C(15)H(12)N(2)S, the methylthioquinazoline group is planar with the methyl C displaced by only 0.116 (3) Å from the plane of the quinazoline moiety. The dihedral angle between the phenyl ring and the quinazoline ring system is 13.95 (5)°. In the crystal, each molecule is linked by π–π stacking between to two adjacent inversion-related molecules. On one side, the inverted quinazoline groups interact with a centroid–centroid distance of 3.7105 (9) Å. On the other side, the quinazoline group interacts with the pyrimidine and phenyl rings of the second neighbour with centroid–centroid distances of 3.5287 (8) and 3.8601 (9) Å, respectively. |
format | Online Article Text |
id | pubmed-4158504 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41585042014-09-23 Crystal structure of 4-methylsulfanyl-2-phenylquinazoline Alshammari, Mohammed B. Smith, Keith Hegazy, Amany S. Kariuki, Benson M. El-Hiti, Gamal A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(12)N(2)S, the methylthioquinazoline group is planar with the methyl C displaced by only 0.116 (3) Å from the plane of the quinazoline moiety. The dihedral angle between the phenyl ring and the quinazoline ring system is 13.95 (5)°. In the crystal, each molecule is linked by π–π stacking between to two adjacent inversion-related molecules. On one side, the inverted quinazoline groups interact with a centroid–centroid distance of 3.7105 (9) Å. On the other side, the quinazoline group interacts with the pyrimidine and phenyl rings of the second neighbour with centroid–centroid distances of 3.5287 (8) and 3.8601 (9) Å, respectively. International Union of Crystallography 2014-07-23 /pmc/articles/PMC4158504/ /pubmed/25249928 http://dx.doi.org/10.1107/S1600536814015657 Text en © Alshammari et al. 2014 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 Alshammari, Mohammed B. Smith, Keith Hegazy, Amany S. Kariuki, Benson M. El-Hiti, Gamal A. Crystal structure of 4-methylsulfanyl-2-phenylquinazoline |
title | Crystal structure of 4-methylsulfanyl-2-phenylquinazoline |
title_full | Crystal structure of 4-methylsulfanyl-2-phenylquinazoline |
title_fullStr | Crystal structure of 4-methylsulfanyl-2-phenylquinazoline |
title_full_unstemmed | Crystal structure of 4-methylsulfanyl-2-phenylquinazoline |
title_short | Crystal structure of 4-methylsulfanyl-2-phenylquinazoline |
title_sort | crystal structure of 4-methylsulfanyl-2-phenylquinazoline |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158504/ https://www.ncbi.nlm.nih.gov/pubmed/25249928 http://dx.doi.org/10.1107/S1600536814015657 |
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