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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.

ABSTRACT: 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.

SUBMITTER: Ueda K

PROVIDER: S-EPMC2971092 | 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-dithiole-4(5H)-thione.

Project description: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.

| S-EPMC2970979 | 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

(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

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

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-Sulfanyl-idene-2H,5H-1,3-dithiolo[4,5-d][1,3]dithiol-2-one.

Project description:The title mol-ecule, C(4)OS(5), is essentially planar, with an r.m.s. deviation of 0.032 (3) Å. All the C-S single bonds are shorter than the standard Csp(3)-S single-bond length, showing the π-conjugated nature of the molecule. In the crystal, molecules lie parallel to one another and pack in columns along the a axis. Short inter-molecular S⋯S contacts [3.314 (3), 3.482 (2) and 3.501 (2) Å] are observed between the columns. The angle between the two mol-ecular dipole moments in the unit cell is 39.3 (1)° and the macro-polarization vector is along the [1 0 - 1.41] direction. As a result of the high polarization and π-conjugation of the structure, the crystalline powder exhibits a second harmonic generating intensity, which is as strong as that of the urea standard powder crystals, when irradiated by a 1053 nm laser beam. The diffraction space of the crystal showed a nonmerohedral twinning.

| S-EPMC3295492 | 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

13-[4,5-Bis(methyl-sulfan-yl)-1,3-dithiol-2-yl-idene]-6-oxa-3,9,12,14-tetra-thia-bicyclo-[9.3.0]tetra-dec-1(11)-ene.

Project description:In the title mol-ecule, C(14)H(18)OS(8), one O atom, two S atoms and six C atoms form an 11-membered ring with a chair-like conformation; the planes of the two five-membered rings connected by a carbon-carbon double bond form a dihedral angle of 29.97?(11)°. In the crystal, pairs of weak inter-molecular C-H?S hydrogen bonds link two mol-ecules into inversion dimers.

| S-EPMC2970471 | 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-Bis(1,3-dithiol-2-yl-idene)hydrazine.

Project description:The title mol-ecule, C(6)H(4)N(2)S(4), has a crystallographically imposed centre of symmetry located at the mid-point of the N-N single bond. The mol-ecule is essentially planar: the two five-membered rings form a dihedral angle of 0.17 (6)°. The crystal packing exhibits short inter-molecular S⋯S contacts of 3.549 (2) Å.

| S-EPMC2961747 | biostudies-literature

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