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2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate
In the title compound, C(23)H(17)ClN(2)O(3), the quinazoline fused-ring system, including the ring-bound carbonyl-O and methyl-C atoms, is close to being planar (r.m.s. deviation = 0.044 Å) and is essentially orthogonal to both the 2-tolyl ring [dihedral angle = 89.51 (8)°] and to the ester group [t...
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/PMC3393320/ https://www.ncbi.nlm.nih.gov/pubmed/22807877 http://dx.doi.org/10.1107/S1600536812025147 |
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author | El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Alanazi, Amer M. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Alanazi, Amer M. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | El-Azab, Adel S. |
collection | PubMed |
description | In the title compound, C(23)H(17)ClN(2)O(3), the quinazoline fused-ring system, including the ring-bound carbonyl-O and methyl-C atoms, is close to being planar (r.m.s. deviation = 0.044 Å) and is essentially orthogonal to both the 2-tolyl ring [dihedral angle = 89.51 (8)°] and to the ester group [the C—O—C—C torsion angle = −103.69 (16)°]. The carboxylate group is almost coplanar with the benzene ring to which it is attached [O—C—C—C torsion angle = −4.7 (2)°]. The 2-tolyl ring system is disordered over two orientations in a 0.871 (3):0.129 (3) ratio. In the crystal, molecules are consolidated into a three-dimensional architecture by C—H⋯Cl, C—H⋯O, C—H⋯N, C—H⋯π and π–π interactions [inter-centroid distances = 3.6443 (9) and 3.8557 (11) Å]. |
format | Online Article Text |
id | pubmed-3393320 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33933202012-07-17 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Alanazi, Amer M. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(23)H(17)ClN(2)O(3), the quinazoline fused-ring system, including the ring-bound carbonyl-O and methyl-C atoms, is close to being planar (r.m.s. deviation = 0.044 Å) and is essentially orthogonal to both the 2-tolyl ring [dihedral angle = 89.51 (8)°] and to the ester group [the C—O—C—C torsion angle = −103.69 (16)°]. The carboxylate group is almost coplanar with the benzene ring to which it is attached [O—C—C—C torsion angle = −4.7 (2)°]. The 2-tolyl ring system is disordered over two orientations in a 0.871 (3):0.129 (3) ratio. In the crystal, molecules are consolidated into a three-dimensional architecture by C—H⋯Cl, C—H⋯O, C—H⋯N, C—H⋯π and π–π interactions [inter-centroid distances = 3.6443 (9) and 3.8557 (11) Å]. International Union of Crystallography 2012-06-13 /pmc/articles/PMC3393320/ /pubmed/22807877 http://dx.doi.org/10.1107/S1600536812025147 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. Alanazi, Amer M. Ng, Seik Weng Tiekink, Edward R. T. 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate |
title | 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate |
title_full | 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate |
title_fullStr | 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate |
title_full_unstemmed | 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate |
title_short | 2-Methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate |
title_sort | 2-methyl-3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-8-yl 4-chlorobenzoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393320/ https://www.ncbi.nlm.nih.gov/pubmed/22807877 http://dx.doi.org/10.1107/S1600536812025147 |
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