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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...

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Autores principales: Fun, Hoong-Kun, Kia, Reza, Patil, P. S., Dharmaprakash, S. M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
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.
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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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