Cargando…
(4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one
The title compound, C(22)H(22)O(5), crystallizes with two independent molecules in the asymmetric unit, both of which possess pseudo-C (s) symmetry. The central 1,3-dioxanone rings have envelope conformations, with the C atom bearing the two methyl groups at the flap. The benzene rings of the meth...
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/PMC3275038/ https://www.ncbi.nlm.nih.gov/pubmed/22346983 http://dx.doi.org/10.1107/S1600536812000372 |
_version_ | 1782223161525272576 |
---|---|
author | Mojtahedi, Mohammad M. Massa, Werner Abaee, M. Saeed Mesbah, A. Wahid |
author_facet | Mojtahedi, Mohammad M. Massa, Werner Abaee, M. Saeed Mesbah, A. Wahid |
author_sort | Mojtahedi, Mohammad M. |
collection | PubMed |
description | The title compound, C(22)H(22)O(5), crystallizes with two independent molecules in the asymmetric unit, both of which possess pseudo-C (s) symmetry. The central 1,3-dioxanone rings have envelope conformations, with the C atom bearing the two methyl groups at the flap. The benzene rings of the methoxybenzylidene units, attached in the 4- and 6-positions on the central 1,3-dioxanone rings, are tilted in the same direction with dihedral angles varying between 8.2 (1) and 18.1 (1)°. The crystal packing is influenced by π-stacking interactions of the parallel displaced type [centroid–centroid distance of 3.723 (1) Å for molecule 1 and 3.884 (1) Å for molecule 2, with ring slippages of 1.432 and 1.613 Å, respectively] and the T-shaped type, with the long molecular axes all aligned along [010]. |
format | Online Article Text |
id | pubmed-3275038 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32750382012-02-15 (4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one Mojtahedi, Mohammad M. Massa, Werner Abaee, M. Saeed Mesbah, A. Wahid Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(22)H(22)O(5), crystallizes with two independent molecules in the asymmetric unit, both of which possess pseudo-C (s) symmetry. The central 1,3-dioxanone rings have envelope conformations, with the C atom bearing the two methyl groups at the flap. The benzene rings of the methoxybenzylidene units, attached in the 4- and 6-positions on the central 1,3-dioxanone rings, are tilted in the same direction with dihedral angles varying between 8.2 (1) and 18.1 (1)°. The crystal packing is influenced by π-stacking interactions of the parallel displaced type [centroid–centroid distance of 3.723 (1) Å for molecule 1 and 3.884 (1) Å for molecule 2, with ring slippages of 1.432 and 1.613 Å, respectively] and the T-shaped type, with the long molecular axes all aligned along [010]. International Union of Crystallography 2012-01-11 /pmc/articles/PMC3275038/ /pubmed/22346983 http://dx.doi.org/10.1107/S1600536812000372 Text en © Mojtahedi 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 Mojtahedi, Mohammad M. Massa, Werner Abaee, M. Saeed Mesbah, A. Wahid (4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one |
title | (4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one |
title_full | (4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one |
title_fullStr | (4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one |
title_full_unstemmed | (4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one |
title_short | (4Z,6Z)-4,6-Bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one |
title_sort | (4z,6z)-4,6-bis(4-methoxybenzylidene)-2,2-dimethyl-1,3-dioxan-5-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275038/ https://www.ncbi.nlm.nih.gov/pubmed/22346983 http://dx.doi.org/10.1107/S1600536812000372 |
work_keys_str_mv | AT mojtahedimohammadm 4z6z46bis4methoxybenzylidene22dimethyl13dioxan5one AT massawerner 4z6z46bis4methoxybenzylidene22dimethyl13dioxan5one AT abaeemsaeed 4z6z46bis4methoxybenzylidene22dimethyl13dioxan5one AT mesbahawahid 4z6z46bis4methoxybenzylidene22dimethyl13dioxan5one |