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Crystal structure of 9,10-bis-(1,3-di-thiol-2-yl-idene)-9,10-di-hydro-anthracene.

ABSTRACT: The crystal structure of the well-studied 9,10-bis-(1,3-di-thiol-2-yl-idene)-9,10-di-hydro-anthracene mol-ecule, C20H12S4, (I), also known as exTTF, is reported. The mol-ecular structure of (I) consists of a di-hydro-anthracene moiety with two 1,3-di-thiol-2-yl-idene substituents. This is a saddle-shaped mol-ecule, which inter-acts with a close neighbor through various ?-? and C-H?? contacts to form a 'dimer'. These 'dimers' inter-act through a series of C-H?S and C-H?? contacts to construct a complex three-dimensional extended structure.

SUBMITTER: Ren Y

PROVIDER: S-EPMC4719817 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of 9,10-bis-(1,3-di-thiol-2-yl-idene)-9,10-di-hydro-anthracene.

Ren Yi Y Lee Semin S Bertke Jeffery A JA Moore Jeffrey S JS

Acta crystallographica. Section E, Crystallographic communications 20151107 Pt 12

The crystal structure of the well-studied 9,10-bis-(1,3-di-thiol-2-yl-idene)-9,10-di-hydro-anthracene mol-ecule, C20H12S4, (I), also known as exTTF, is reported. The mol-ecular structure of (I) consists of a di-hydro-anthracene moiety with two 1,3-di-thiol-2-yl-idene substituents. This is a saddle-shaped mol-ecule, which inter-acts with a close neighbor through various π-π and C-H⋯π contacts to form a 'dimer'. These 'dimers' inter-act through a series of C-H⋯S and C-H⋯π contacts to construct a c ...[more]

PMID: 26870408

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