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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 |

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-dithiol-4(5H)-one.

Project description:The mol-ecular framework of the title compound, C(11)H(6)I(2)OS(8), is almost planar [maximum deviation = 0.057 (5) Å] except for the two methyl-sulfanyl groups, which are twisted relative to the mol-ecular skeleton, with C-C-S-C torsion angles of 49.74 (22) and 82.91 (21)°. In the crystal, mol-ecules are stacked alternately in opposite orientations, forming a one-dimensional column along the b axis. The inter-action between adjacent columns is accomplished through S⋯S [3.4289 (5) Å], S⋯I [3.4498 (4) Å] and O⋯I [2.812 (2) Å] contacts.

| S-EPMC2971092 | biostudies-literature

2-[4,5-Bis(butyl-sulfan-yl)-1,3-dithiol-2-yl-idene]-5-methyl-5H-1,3-dithiolo[4,5-c]pyrrole-4-carbaldehyde.

Project description:In the title compound, C(18)H(23)NOS(6), the dithiol-opyrrole ring is almost planar [r.m.s. deviation = 0.044?(3)?Å] and makes a dihedral angle of 25.11?(7)° with the dithiole ring. In the crystal, pairs of neighboring mol-ecules are connected by weak inter-molecular C-H?O inter-actions. These dimers are further linked into a chain along [110] by C-H?O inter-actions.

| S-EPMC3011525 | biostudies-literature

6,7,8,9,10,11,12,13-Octa-hydro-5H-1,3-dithiole[4,5-b][1,4]dithia-cyclo-tridecine-2-thione.

Project description:In the crystal structure of the title compound, C(12)H(18)S(5), no significant inter-molecular π-π inter-actions are found. Weak inter-molecular C-S⋯π [S⋯centroid = 3.787 (1) Å] inter-actions and van der Waals forces may be effective in the stabilization of the structure.

| S-EPMC2960369 | biostudies-literature

2-[4,5-Bis(ethyl-sulfan-yl)-1,3-dithiol-2-yl-idene]-5-(4-methoxy-phen-yl)-5H-1,3-dithiolo[4,5-c]pyrrole.

Project description:The asymmetric unit of the title compound, C(19)H(19)NOS(6), contains two independent mol-ecules with different conformations of the ethyl groups. The dihedral angles between the pyrrole and benzene rings are 14.19?(14) and 16.29?(17)° in the two molecules. In the absence of short inter-molecular contacts, in the crystal, the mol-ecules are packed with their long axes parallel to [10].

| S-EPMC2972114 | biostudies-other

5-Isopropyl-idene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione.

Project description:The title compound, C(7)H(6)S(5), contains a 5-yl-idene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione framework, which is an important synthetic precursor of multi-dimensional organic superconductors and conductors. The mol-ecular framework is planar with an r.m.s. deviation of 0.012 Å for the non-H atoms. In the crystal structure, mol-ecules are linked by short inter-molecular S⋯S inter-actions [3.501 (5) and 3.581 (4) Å], constructing a zigzag mol-ecular tape network along the c axis.

| S-EPMC2977732 | biostudies-literature

Ethyl 2-[4,5-bis-(butyl-sulfan-yl)-1,3-dithiol-2-yl-idene]-1,3-dithiolo[4,5-c]pyrrole-4-carboxyl-ate.

Project description:In the title mol-ecule, C(19)H(25)NO(2)S(6), the butyl chains are each disordered over two conformations in a 0.689 (10):0.311 (10) ratio. In the crystal, pairs of N-H⋯O hydrogen bonds link mol-ecules into centrosymmetric dimers. Short S⋯S contacts of 3.553 (4) Å are observed.

| S-EPMC3344526 | biostudies-literature

(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].

| S-EPMC2971353 | biostudies-literature

2,5-Bis(1,3-dithiol-2-yl-idene)-1,3-dithiol-ane-4-thione.

Project description:The asymmetric unit of the title compound, C(9)H(4)S(7), contains two independent mol-ecules, in one of which the central five-membered ring is disordered over two orientations in a 0.924?(3):0.076?(3) ratio. The mol-ecular skeleton is almost planar: the average distance of the atoms from their mean plane is 0.128?(7)?Å in the ordered mol-ecule, and 0.088?(5) and 0.123?(2)?Å in the major and minor disorder components, respectively. The ordered and disordered mol-ecules form separate columns by stacking along the b axis. Adjacent columns inter-act via short S?S [3.33?(2), 3.434?(3), 3.444?(2), 3.503?(2), 3.519?(3) and 3.53?(4)?Å] and S?H [2.814?(2), 2.87?(7), 2.92?(2), 2.9269?(18), 2.93?(2), 2.94?(2), 2.939?(2), 2.967?(2) and 2.974?(1)?Å] contacts.

| S-EPMC3254410 | biostudies-literature

1-(2-Fluoro-benz-yl)quinolinium bis-(2-sulfanylidene-1,3-dithiole-4,5-dithiol-ato-?S,S')nickelate(III).

Project description:The crystal structure of the title compound, (C(16)H(13)FN)[Ni(C(3)S(5))(2)], consists of Ni(III) complex anions and 1-(2-fluoro-benz-yl)quinolinium (fbq) cations. In the complex anion, the Ni(III) cation is chelated by two 2-sulfanylidene-1,3-dithiole-4,5-dithiol-ate (dmit) dianions in a distorted square-planar geometry; the two dmit mean planes are twisted with respect to each other at a dihedral angle of 8.44?(3)°. In the fbq cation, the dihedral angle between the benzene ring and the quinoline ring system is 80.57?(14)°. The centroid-centroid distance of 3.860?(5)?Å between benzene rings indicates ?-? stacking between adjacent fbq cations. The distance of 3.4958?(18)?Å between the S atom and the centroid of the pyridine ring suggests the existence of a lone-pair-aromatic inter-action between the anion and the cation. A short S?S contact [3.387?(2)?Å] is also observed in the crystal structure.

| S-EPMC3089345 | biostudies-literature

9-[4,5-Bis(benzyl-sulfan-yl)-1,3-dithiol-2-yl-idene]-4,5-diaza-fluorene.

Project description:In rhe title compound, C(28)H(20)N(2)S(4), the 1,3-dithiol-2-yl-idene and 4,5-diaza-fluoren-9-one (dafone) groups are almost coplanar, making a dihedral angle of only 5.65?(4)°. The two benzyl groups are on different sides of the 1,3-dithiol-2-yl-idene ring, forming a dihedral angle of 35.54?(2)°.

| S-EPMC2961804 | biostudies-other

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