Cargando…
(2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
The overall shape of the molecule of the title compound, C(17)H(15)BrO(2), can be described by the dihedral angles between three planar fragments: 1-bromo-2-methoxyphenyl ring [maximum deviation = 0.003 (2) Å], the central prop-2-en-1-one chain [maximum deviation = 0.005 (2) Å], and the methylph...
Autores principales: | , , , , |
---|---|
Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099759/ https://www.ncbi.nlm.nih.gov/pubmed/21754040 http://dx.doi.org/10.1107/S1600536811011482 |
_version_ | 1782204078076461056 |
---|---|
author | Dutkiewicz, Grzegorz Siddaraju, B. P. Yathirajan, H. S. Narayana, B. Kubicki, Maciej |
author_facet | Dutkiewicz, Grzegorz Siddaraju, B. P. Yathirajan, H. S. Narayana, B. Kubicki, Maciej |
author_sort | Dutkiewicz, Grzegorz |
collection | PubMed |
description | The overall shape of the molecule of the title compound, C(17)H(15)BrO(2), can be described by the dihedral angles between three planar fragments: 1-bromo-2-methoxyphenyl ring [maximum deviation = 0.003 (2) Å], the central prop-2-en-1-one chain [maximum deviation = 0.005 (2) Å], and the methylphenyl ring [maximum deviation = 0.004 (2) Å]. The terminal planes are twisted by 10.37 (12)°, while the central plane is almost coplanar with the methylphenyl ring [3.30 (13)°], but the dihedral angle with the other phenyl ring is significantly larger [8.76 (16)°]. In the crystal, molecules are linked into chains along [001] by three C—H⋯O hydrogen bonds. These chains interact with each other by means of weak π–π contacts [centroid–centroid distances = 3.73 (1) and 3.44 (1) Å]. An intermolecular C—H⋯Br interaction also occurs. |
format | Text |
id | pubmed-3099759 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30997592011-07-13 (2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one Dutkiewicz, Grzegorz Siddaraju, B. P. Yathirajan, H. S. Narayana, B. Kubicki, Maciej Acta Crystallogr Sect E Struct Rep Online Organic Papers The overall shape of the molecule of the title compound, C(17)H(15)BrO(2), can be described by the dihedral angles between three planar fragments: 1-bromo-2-methoxyphenyl ring [maximum deviation = 0.003 (2) Å], the central prop-2-en-1-one chain [maximum deviation = 0.005 (2) Å], and the methylphenyl ring [maximum deviation = 0.004 (2) Å]. The terminal planes are twisted by 10.37 (12)°, while the central plane is almost coplanar with the methylphenyl ring [3.30 (13)°], but the dihedral angle with the other phenyl ring is significantly larger [8.76 (16)°]. In the crystal, molecules are linked into chains along [001] by three C—H⋯O hydrogen bonds. These chains interact with each other by means of weak π–π contacts [centroid–centroid distances = 3.73 (1) and 3.44 (1) Å]. An intermolecular C—H⋯Br interaction also occurs. International Union of Crystallography 2011-03-31 /pmc/articles/PMC3099759/ /pubmed/21754040 http://dx.doi.org/10.1107/S1600536811011482 Text en © Dutkiewicz et al. 2011 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 Dutkiewicz, Grzegorz Siddaraju, B. P. Yathirajan, H. S. Narayana, B. Kubicki, Maciej (2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one |
title | (2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one |
title_full | (2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one |
title_fullStr | (2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one |
title_full_unstemmed | (2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one |
title_short | (2E)-3-(3-Bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one |
title_sort | (2e)-3-(3-bromo-4-methoxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3099759/ https://www.ncbi.nlm.nih.gov/pubmed/21754040 http://dx.doi.org/10.1107/S1600536811011482 |
work_keys_str_mv | AT dutkiewiczgrzegorz 2e33bromo4methoxyphenyl14methylphenylprop2en1one AT siddarajubp 2e33bromo4methoxyphenyl14methylphenylprop2en1one AT yathirajanhs 2e33bromo4methoxyphenyl14methylphenylprop2en1one AT narayanab 2e33bromo4methoxyphenyl14methylphenylprop2en1one AT kubickimaciej 2e33bromo4methoxyphenyl14methylphenylprop2en1one |