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(1E,4E)-1,5-Bis(2,6-difluoro-phen-yl)penta-1,4-dien-3-one.

ABSTRACT: The mol-ecule of the title compound, C(17)H(10)F(4)O, is roughly planar, with a dihedral angle of 5.59?(14)° between the two phenyl rings. The mol-ecule has an E conformation with respect to the olefinic bonds. In the crystal, mol-ecules are connected through C-H?O hydrogen bonds and there is slipped ?-? stacking [centroid-centroid distance = 3.7983?(18), slippage =1.309?;Å] between symmetry-related benzene rings.

SUBMITTER: Huang JD

PROVIDER: S-EPMC3099841 | biostudies-other | 2011 Apr

REPOSITORIES: biostudies-other

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(1E,4E)-1,5-Bis(2,6-difluoro-phen-yl)penta-1,4-dien-3-one.

Huang Jun-Da JD Tang Qin-Qin QQ Chen Xiao-Yan XY Ye Yun Y Wang Yi Y

Acta crystallographica. Section E, Structure reports online 20110302 Pt 4

The mol-ecule of the title compound, C(17)H(10)F(4)O, is roughly planar, with a dihedral angle of 5.59 (14)° between the two phenyl rings. The mol-ecule has an E conformation with respect to the olefinic bonds. In the crystal, mol-ecules are connected through C-H⋯O hydrogen bonds and there is slipped π-π stacking [centroid-centroid distance = 3.7983 (18), slippage =1.309 ;Å] between symmetry-related benzene rings. ...[more]

PMID: 21754055

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