Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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

ABSTRACT: 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.

SUBMITTER: Hou RB

PROVIDER: S-EPMC3213538 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

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

Hou Rui-Bin RB Li Dong-Feng DF

Acta crystallographica. Section E, Structure reports online 20110723 Pt 8

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. ...[more]

PMID: 22091115

Similar Datasets

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

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

Project description: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.

| S-EPMC3011482 | 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

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-[(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

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

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 ethyl-ene-dioxy-tetra-thia-fulvalene-4,5-bis-(thiol-benzoic acid) 0.25-hydrate.

Project description:In the title compound (systematic name: 4,4'-{[2-(5,6-di-hydro-[1,3]di-thiolo[4,5-b][1,4]dioxin-2-yl-idene)-1,3-di-thiole-4,5-di-yl]bis-(sulfanedi-yl)}di-benzoic acid 0.25-hydrate), C22H14O6S6·0.25H2O, the tetra-thia-fulvalene (TTF) core adopts a boat conformation, where the central S2C=CS2 plane makes dihedral angles of 31.34?(4) and 26.83?(6)°, respectively, with the peripheral S2C=CS2 and S2C2O2 planes. In the crystal, the benzoic acid mol-ecules are linked via O-H?O hydrogen bonds, forming inversion dimers with R22(8) motifs. The dimers are linked through weak C-H?O hydrogen bonds into a chain structure along [-101]. The chains stack along the a axis through S?S and S?C short contacts, forming layers parallel to the ac plane.

| S-EPMC5588559 | 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

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