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Thieno[3,4-d][1,3]dithiole-2-thione.

ABSTRACT: In the title compound, C(5)H(2)S(4), the terminal monocyclic S atom deviates by 0.117?(1)?Å from the mean plane of the other non-H atoms (r.m.s. deviation = 0.001?Å). All six C-S bonds and the central C-C bond in the rings are characterized by ?-conjugated lengths, endowing the mol-ecule with high ?-conjugation. In the crystal, the mol-ecules are parallel packed, forming columnar stacks along the a axis. Short inter-molecular S?S contacts [3.397?(1) and 3.486?(1)?Å], are observed.

SUBMITTER: Wen HW 

PROVIDER: S-EPMC3247483 | biostudies-literature | 2011 Nov

REPOSITORIES: biostudies-literature

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Thieno[3,4-d][1,3]dithiole-2-thione.

Wen Hua-Wen HW   Fang Qi Q  

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

In the title compound, C(5)H(2)S(4), the terminal monocyclic S atom deviates by 0.117 (1) Å from the mean plane of the other non-H atoms (r.m.s. deviation = 0.001 Å). All six C-S bonds and the central C-C bond in the rings are characterized by π-conjugated lengths, endowing the mol-ecule with high π-conjugation. In the crystal, the mol-ecules are parallel packed, forming columnar stacks along the a axis. Short inter-molecular S⋯S contacts [3.397 (1) and 3.486 (1) Å], are observed. ...[more]

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