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2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile
In the title compound, C(18)H(15)N(3)O(2), the fused ring system is almost planar [the dihedral angle between the six-membered rings is 1.81 (6)°]. The 2-tolyl ring is approximately orthogonal to this plane [dihedral angle = 83.03 (7)°] as is the acetonitrile group [C—O—C—C torsion angle = 79.24 (14...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393918/ https://www.ncbi.nlm.nih.gov/pubmed/22798783 http://dx.doi.org/10.1107/S1600536812026165 |
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author | El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Al-Omar, Mohamed A. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Al-Omar, Mohamed A. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | El-Azab, Adel S. |
collection | PubMed |
description | In the title compound, C(18)H(15)N(3)O(2), the fused ring system is almost planar [the dihedral angle between the six-membered rings is 1.81 (6)°]. The 2-tolyl ring is approximately orthogonal to this plane [dihedral angle = 83.03 (7)°] as is the acetonitrile group [C—O—C—C torsion angle = 79.24 (14)°] which is also syn to the methyl substituent of the tolyl group. In the crystal, supramolecular layers are formed in the bc plane mediated by C—H⋯O, C—H⋯N and C—H⋯π interactions. The tolyl group is disordered over two positions in a 0.852 (3):0.148 (3) ratio. |
format | Online Article Text |
id | pubmed-3393918 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33939182012-07-13 2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Al-Omar, Mohamed A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(15)N(3)O(2), the fused ring system is almost planar [the dihedral angle between the six-membered rings is 1.81 (6)°]. The 2-tolyl ring is approximately orthogonal to this plane [dihedral angle = 83.03 (7)°] as is the acetonitrile group [C—O—C—C torsion angle = 79.24 (14)°] which is also syn to the methyl substituent of the tolyl group. In the crystal, supramolecular layers are formed in the bc plane mediated by C—H⋯O, C—H⋯N and C—H⋯π interactions. The tolyl group is disordered over two positions in a 0.852 (3):0.148 (3) ratio. International Union of Crystallography 2012-06-16 /pmc/articles/PMC3393918/ /pubmed/22798783 http://dx.doi.org/10.1107/S1600536812026165 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-Omar, Mohamed A. Ng, Seik Weng Tiekink, Edward R. T. 2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile |
title | 2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile |
title_full | 2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile |
title_fullStr | 2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile |
title_full_unstemmed | 2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile |
title_short | 2-{[2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile |
title_sort | 2-{[2-methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl]oxy}acetonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393918/ https://www.ncbi.nlm.nih.gov/pubmed/22798783 http://dx.doi.org/10.1107/S1600536812026165 |
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