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Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone.

ABSTRACT: The crystal structure of the title compound, C₉H₆OS₂, represents a new polymorph. The crystal structure was solved in the ortho-rhom-bic space group Pbcn with one half of the mol-ecule in the asymmetric unit. The thio-phene rings are perfectly planar and twisted with respect to each other, showing the mol-ecule to be in an S,O-trans/S,O-trans conformation. In the crystal, C-H?O hydrogen bonds connect the mol-ecules into layers extending parallel to the ab plane. The crystal structure also features ?-? inter-actions.

SUBMITTER: Hubscher J

PROVIDER: S-EPMC5730318 | biostudies-literature | 2017 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of a new polymorph of di(thio-phen-3-yl) ketone.

Hübscher Jörg J Augustin André U AU Seichter Wilhelm W Weber Edwin E

Acta crystallographica. Section E, Crystallographic communications 20170929 Pt 10

The crystal structure of the title compound, C9H6OS2, represents a new polymorph. The crystal structure was solved in the ortho-rhom-bic space group Pbcn with one half of the mol-ecule in the asymmetric unit. The thio-phene rings are perfectly planar and twisted with respect to each other, showing the mol-ecule to be in an S,O-trans/S,O-trans conformation. In the crystal, C-H⋯O hydrogen bonds connect the mol-ecules into layers extending paral ...[more]

PMID: 29250381

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