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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...

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Autores principales: Alshammari, Mohammed B., Smith, Keith, Hegazy, Amany S., Kariuki, Benson M., El-Hiti, Gamal A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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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