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

ABSTRACT: The title compound, C(13)H(10)OS(2), exhibits twists between the central C(3)O and ethene residues [O-C-C-C torsion angles = -8.4?(3) and 11.8?(3)°], and between the ethene and adjacent thio-phenyl residues [C-C-C-C torsion angles = -4.2?(3) and 10.5?(3)°]. As a result, the mol-ecule is non-planar, the dihedral angle formed between the terminal thio-phenyl groups being 15.45?(10)°. The presence of C-H?O inter-actions involving the bifurcated carbonyl O atom leads to supra-molecular arrays in the ac plane. These are linked into a three-dimensional architecture by C-H?? inter-actions involving both thio-phenyl residues.

SUBMITTER: Shalini S

PROVIDER: S-EPMC3200598 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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

Shalini S S Girija C R CR Jotani Mukesh M MM Rajashekhar B B Rao Nageswar N Tiekink Edward R T ER

Acta crystallographica. Section E, Structure reports online 20110817 Pt 9

The title compound, C(13)H(10)OS(2), exhibits twists between the central C(3)O and ethene residues [O-C-C-C torsion angles = -8.4 (3) and 11.8 (3)°], and between the ethene and adjacent thio-phenyl residues [C-C-C-C torsion angles = -4.2 (3) and 10.5 (3)°]. As a result, the mol-ecule is non-planar, the dihedral angle formed between the terminal thio-phenyl groups being 15.45 (10)°. The presence of C-H⋯O inter-actions involving the bifurcated carbonyl O atom leads to supra-molecular arrays in the ...[more]

PMID: 22058969

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