Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

2,3-Bis(methyl-sulfan-yl)-1,4,5,8-tetra-thia-fulvalene.

ABSTRACT: In the title compound, C(8)H(8)S(6), the five-membered rings form a dihedral angle of 25.06?(9)°. In the absence of short inter-molecular contacts, the mol-ecules are packed by van der Waals forces in the crystal.

SUBMITTER: Zheng NJ

PROVIDER: S-EPMC3011482 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

2,3-Bis(methyl-sulfan-yl)-1,4,5,8-tetra-thia-fulvalene.

Zheng Ning-Juan NJ Yin Bing-Zhu BZ

Acta crystallographica. Section E, Structure reports online 20101127 Pt 12

In the title compound, C(8)H(8)S(6), the five-membered rings form a dihedral angle of 25.06 (9)°. In the absence of short inter-molecular contacts, the mol-ecules are packed by van der Waals forces in the crystal. ...[more]

PMID: 21589584

Similar Datasets

2,3-Bis(ethyl-sulfan-yl)-1,4,5,8-tetra-thia-fulvalene-6,7-dicarbonitrile.

Project description:In the title compound, C(12)H(10)N(2)S(6), all non-H atoms, except for those in the ethyl groups, lie in the same non-crystallographic plane, with a r.m.s. deviation of 0.0366?(5)?Å. In the crystal structure, mol-ecules are linked through weak C-H?N hydrogen bonds between methyl and cyano groups, forming centrosymmetric dimers. The dimers are arranged along the a axis, due to inter-molecular N?S [3.337?(4)?Å] inter-actions.

| S-EPMC3213538 | biostudies-literature

6,7-Bis(methyl-sulfan-yl)-2,3-[(3,6,9-trioxaundecane-1,11-di-yl)bis-(sulfanediylmethyl-ene)]-1,4,5,8-tetra-thia-fulvalene.

Project description:In the title compound, C(18)H(26)O(3)S(8), the two five-membered rings exhibit envelope conformations. The two S atoms in the 17-membered macrocycle deviate from the plane of the fused five-membered ring by 1.429 (3) and -1.434 (3) Å in opposite directions.

| S-EPMC2979097 | biostudies-literature

2,3-Bis[(2-cyano-eth-yl)sulfan-yl]-1,4,5,8-tetra-thia-fulvalene-6,7-dicarbonitrile.

Project description:In the title compound, C(14)H(8)N(4)S(6), the two five-membered rings lie in the same plane with an r.m.s. deviation of 0.0334?(5)?Å. The crystal structure features inter-molecular S?N inter-actions of 3.295?(4)?Å.

| S-EPMC3007503 | biostudies-literature

Methyl 2,3-(3,6,9-trioxaundecane-1,11-diyldithio)-1,4,5,8-tetra-thia-fulvalene-6-carboxyl-ate.

Project description:In the title mol-ecule, C(16)H(20)O(5)S(6), the two five-membered rings form a dihedral angle of 4.7 (3)°. The crystal packing exhibits weak inter-molecular C-H⋯O hydrogen bonds, which link the mol-ecules into chains propagating in [10], and π-π inter-actions, indicated by the short distances [3.756 (5) Å] between the centroids of five-membered rings from mol-ecules related by translation along the b axis.

| S-EPMC2977738 | biostudies-literature

2,3-(3,6,9-Trioxaundecane-1,11-diyl-disulfan-yl)-1,4,5,8-tetra-thia-fulvalene-6,7-dicarbonitrile.

Project description:In the title compound, C(16)H(16)N(2)O(3)S(6), the two five-membered rings form a dihedral angle of 7.86?(9)°. Weak C-H?N hydrogen bonds link the mol-ecules to form a chain along c; the chains are further connected by weak C-H?O hydrogen bonds to form a three-dimensional supra-molecular network.

| S-EPMC2979555 | biostudies-literature

2,3-[(3,6-Dioxaoctane-1,8-diyl)bis(sul-fanediylmethylene)]-6,7-bis(methylsulfanyl)-1,4,5,8-tetra-thia-fulvalene.

Project description:In the title mol-ecule, C(16)H(22)S(8)O(2), two S atoms, two O atoms and ten C atoms form a 14-membered ring with a boat conformation. In the crystal, C-H?O hydrogen bonds link the mol-ecules into dimers which are further connected into a chain along the a axis by C-H?S hydrogen bonds.

| S-EPMC2971456 | biostudies-literature

4,4',5,5'-Tetra-kis(benzyl-sulfan-yl)tetra-thia-fulvalene.

Project description:The asymmetric unit of the title compound, C(34)H(28)S(8), contains two crystallographically independent half-mol-ecules. The mol-ecules lie on centers of inversion. The four benzene rings of each mol-ecule are substantially twisted from the planes of the 1,3-dithiole rings, forming dihedral angles of 43.6?(2) and 61.4?(1)° in one mol-ecule and 54.2?(1) and 65.2?(1)° in the other.

| S-EPMC3099894 | biostudies-other

catena-Poly[[4',5'-bis-(methyl-sulfan-yl)-4,5-ethyl-enedithio-tetra-thio-fulvalene] [[dichloridomercurate(II)]-μ-dichlorido]].

Project description:The title compound, {(C(10)H(10)S(8))[HgCl(3)]}(n), is a sulfur-rich charge-transfer compound in which C(10)H(10)S(8) (+) cations and HgCl(3) anions are assembled by S⋯S [3.371 (5)-3.588 (5) Å] and S⋯Cl [2.833 (4)-3.488 (4) Å] contacts, and by weak inter-molecular C-H⋯Cl hydrogen bonds, forming a two-dimensional wave-like structure. The two C atoms of the -CH(2)-CH(2)- group in one of the cations are disordered over two sites with relative occupancies of 0.83 (2) and 0.17 (2).

| S-EPMC2968017 | biostudies-literature

4-(2-Cyano-ethyl-sulfan-yl)-5'-(pyridin-4-yl)tetra-thia-fulvalene.

Project description:In the title compound, C(14)H(10)N(2)S(5) [systematic name; 3-({2-[4-(pyridin-4-yl)-2H-1,3-dithiol-2-yl-idene]-2H-1,3-dithiol-4-yl}sul-fan-yl)propane-nitrile], all of the non-H atoms except for the cyano-ethyl-sulfanyl group, are approximately coplanar [maxium deviation = 0.090?(3)?Å]. The two five-membered 1,3-dithiole rings are twisted by 2.6?(2)°. Weak inter-molecular S?S inter-actions occur [3.586?(4) and 3.530?(4)?Å].

| S-EPMC3120500 | biostudies-other

Crystal structure of 4,4'-bis-(4-bromo-phen-yl)-1,1',3,3'-tetra-thia-fulvalene.

Project description:The mol-ecule of the title compound, C18H10Br2S4, has a C-shape, with C s mol-ecular symmetry. The dihedral angle between the planes of the di-thiol and phenyl rings is 8.35 (9)°. In the crystal, mol-ecules form helical chains along [001], the shortest inter-actions being π⋯S contacts within the helices. The inter-molecular inter-actions were investigated by Hirshfeld surface analysis. Density functional theory (DFT) was used to calculate HOMO-LUMO energy levels of the title compound and its trans isomer.

| S-EPMC6690463 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data