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5-(4,5-Diiodo-1,3-dithiol-2-yl-idene)-4',5'-bis-(methyl-sulfan-yl)-2,2'-bi-1,3-dithiole-4(5H)-thione.

ABSTRACT: The mol-ecular skeleton of the title mol-ecule, C(11)H(6)I(2)S(9), is nearly planar [maximum deviation 0.052 (3) Å] except for the two methyl groups. In the crystal, mol-ecules related by translation along b axis are associated into columns through π-π inter-actions between the five-membered rings, with a centroid-centroid distance of 3.593 (5) Å. Inter-action between adjacent columns is accomplished by short S⋯I contacts of 3.2099 (4) Å.

SUBMITTER: Ueda K

PROVIDER: S-EPMC2970979 | biostudies-literature | 2009 Oct

REPOSITORIES: biostudies-literature

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5-(4,5-Diiodo-1,3-dithiol-2-yl-idene)-4',5'-bis-(methyl-sulfan-yl)-2,2'-bi-1,3-dithiole-4(5H)-thione.

Ueda Kazumasa K Yoza Kenji K

Acta crystallographica. Section E, Structure reports online 20091023 Pt 11

The mol-ecular skeleton of the title mol-ecule, C(11)H(6)I(2)S(9), is nearly planar [maximum deviation 0.052 (3) Å] except for the two methyl groups. In the crystal, mol-ecules related by translation along b axis are associated into columns through π-π inter-actions between the five-membered rings, with a centroid-centroid distance of 3.593 (5) Å. Inter-action between adjacent columns is accomplished by short S⋯I contacts of 3.2099 (4) Å. ...[more]

PMID: 21578421

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5-(4,5-Diiodo-1,3-dithiol-2-yl-idene)-4',5'-bis(methyl-sulfan-yl)-2,2'-bi-1,3-dithiol-4(5H)-one.

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(5E)-2-[4,5-Bis(methyl-sulfan-yl)-1,3-dithiol-2-yl-idene]-5-(4-iodo-1,3-dithiol-2-yl-idene)-1,3-dithio-lan-4-one.

Project description:The mol-ecular framework of the title compound, C(11)H(7)IOS(8), is almost planar [maximum deviation = 0.040 (4) Å], except for the two methyl-sulfanyl groups, which are twisted relative to the mol-ecular skeleton, making C-S-C-C torsion angles of 144.1 (8) and -141.3 (8)°. In the crystal, mol-ecules are stacked alternately in opposite orientations, forming a one-dimensional column parallel to [110]. The primary inter-actions between mol-ecules comprising the columns are of the S⋯S type [3.554 (1) Å]. Inter-actions between columns are of the S⋯S type [3.411 (1) along b and 3.444 (1) Å along c], as well as S⋯I contacts [3.435 (2) Å].

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