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3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione
In the title compound, C(19)H(14)Cl(2)O(4), intramolecular C—H⋯O and C—H⋯Cl hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal structure, intermolecular C—H⋯O interactions between symmetry-related molecules involving two methylene groups and an O atom as a bifurcate...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968225/ https://www.ncbi.nlm.nih.gov/pubmed/21581939 http://dx.doi.org/10.1107/S1600536809001548 |
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author | Fun, Hoong-Kun Kia, Reza Patil, P. S. Dharmaprakash, S. M. |
author_facet | Fun, Hoong-Kun Kia, Reza Patil, P. S. Dharmaprakash, S. M. |
author_sort | Fun, Hoong-Kun |
collection | PubMed |
description | In the title compound, C(19)H(14)Cl(2)O(4), intramolecular C—H⋯O and C—H⋯Cl hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal structure, intermolecular C—H⋯O interactions between symmetry-related molecules involving two methylene groups and an O atom as a bifurcated acceptor generate an R (2) (1)(6) ring motif. In the molecule, one of the furan rings is rotationally disordered by approximately 180° about the single C—C bond to which it is attached; the refined site-occupancy factors are 0.505 (7) and 0.495 (7). The major component of the disordered furan ring and the benzene ring form a dihedral angle of 88.8 (4)°. The dihedral angle between the major disorder component and the other furan ring is 81.9 (4)°. In addition, the crystal structure is stabilized by further intermolecular C—H⋯O (×2) hydrogen bonds and C—H⋯π interactions. |
format | Text |
id | pubmed-2968225 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29682252010-12-30 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione Fun, Hoong-Kun Kia, Reza Patil, P. S. Dharmaprakash, S. M. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(19)H(14)Cl(2)O(4), intramolecular C—H⋯O and C—H⋯Cl hydrogen bonds generate S(6) and S(5) ring motifs, respectively. In the crystal structure, intermolecular C—H⋯O interactions between symmetry-related molecules involving two methylene groups and an O atom as a bifurcated acceptor generate an R (2) (1)(6) ring motif. In the molecule, one of the furan rings is rotationally disordered by approximately 180° about the single C—C bond to which it is attached; the refined site-occupancy factors are 0.505 (7) and 0.495 (7). The major component of the disordered furan ring and the benzene ring form a dihedral angle of 88.8 (4)°. The dihedral angle between the major disorder component and the other furan ring is 81.9 (4)°. In addition, the crystal structure is stabilized by further intermolecular C—H⋯O (×2) hydrogen bonds and C—H⋯π interactions. International Union of Crystallography 2009-01-17 /pmc/articles/PMC2968225/ /pubmed/21581939 http://dx.doi.org/10.1107/S1600536809001548 Text en © Fun et al. 2009 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 Fun, Hoong-Kun Kia, Reza Patil, P. S. Dharmaprakash, S. M. 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione |
title | 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione |
title_full | 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione |
title_fullStr | 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione |
title_full_unstemmed | 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione |
title_short | 3-(2,4-Dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione |
title_sort | 3-(2,4-dichlorophenyl)-1,5-di-2-furylpentane-1,5-dione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968225/ https://www.ncbi.nlm.nih.gov/pubmed/21581939 http://dx.doi.org/10.1107/S1600536809001548 |
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