Cargando…
6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
In the title compound, C(20)H(20)N(2)O(3), the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethylene bond [1.335 (2) Å] is E an...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379351/ https://www.ncbi.nlm.nih.gov/pubmed/22719549 http://dx.doi.org/10.1107/S1600536812020429 |
_version_ | 1782236180054540288 |
---|---|
author | El-Brollosy, Nasser R. Attia, Mohamed I. El-Emam, Ali A. Ng, Seik Weng Tiekink, Edward R. T. |
author_facet | El-Brollosy, Nasser R. Attia, Mohamed I. El-Emam, Ali A. Ng, Seik Weng Tiekink, Edward R. T. |
author_sort | El-Brollosy, Nasser R. |
collection | PubMed |
description | In the title compound, C(20)H(20)N(2)O(3), the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethylene bond [1.335 (2) Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C—C—C— torsion angle = −48.4 (3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N—H⋯O hydrogen bonds between the amide groups which lead to eight-membered {⋯HNCO}(2) synthons. These are consolidated into a three-dimensional architecture by C—H⋯O, C—H⋯π and π–π interactions [centroid–centroid distances = 3.5087 (8) and 3.5645 (9) Å]. |
format | Online Article Text |
id | pubmed-3379351 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33793512012-06-20 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione El-Brollosy, Nasser R. Attia, Mohamed I. El-Emam, Ali A. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(20)H(20)N(2)O(3), the ten atoms comprising the quinazoline ring are essentially planar (r.m.s. deviation = 0.024 Å), and this plane is almost orthogonal to the terminal phenyl ring [dihedral angle = 82.87 (7)°]. The conformation about the ethylene bond [1.335 (2) Å] is E and there is a significant twist between this residue and the adjacent phenyl ring [C—C—C— torsion angle = −48.4 (3)°]. The crystal structure features centrosymmetric dimeric units linked by pairs of N—H⋯O hydrogen bonds between the amide groups which lead to eight-membered {⋯HNCO}(2) synthons. These are consolidated into a three-dimensional architecture by C—H⋯O, C—H⋯π and π–π interactions [centroid–centroid distances = 3.5087 (8) and 3.5645 (9) Å]. International Union of Crystallography 2012-05-19 /pmc/articles/PMC3379351/ /pubmed/22719549 http://dx.doi.org/10.1107/S1600536812020429 Text en © El-Brollosy 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-Brollosy, Nasser R. Attia, Mohamed I. El-Emam, Ali A. Ng, Seik Weng Tiekink, Edward R. T. 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione |
title | 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione |
title_full | 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione |
title_fullStr | 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione |
title_full_unstemmed | 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione |
title_short | 6-Methyl-1-({[(2E)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione |
title_sort | 6-methyl-1-({[(2e)-2-methyl-3-phenylprop-2-en-1-yl]oxy}methyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379351/ https://www.ncbi.nlm.nih.gov/pubmed/22719549 http://dx.doi.org/10.1107/S1600536812020429 |
work_keys_str_mv | AT elbrollosynasserr 6methyl12e2methyl3phenylprop2en1yloxymethyl1234tetrahydroquinazoline24dione AT attiamohamedi 6methyl12e2methyl3phenylprop2en1yloxymethyl1234tetrahydroquinazoline24dione AT elemamalia 6methyl12e2methyl3phenylprop2en1yloxymethyl1234tetrahydroquinazoline24dione AT ngseikweng 6methyl12e2methyl3phenylprop2en1yloxymethyl1234tetrahydroquinazoline24dione AT tiekinkedwardrt 6methyl12e2methyl3phenylprop2en1yloxymethyl1234tetrahydroquinazoline24dione |