Browse
Submit Data
Databases
API
Help

Dataset Information

17 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

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.

ABSTRACT: 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.

SUBMITTER: Hou RB

PROVIDER: S-EPMC2979097 | biostudies-literature |

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Similar Datasets

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-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

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

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 ?-? 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-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

1,2-Bis[bis-(methyl-sulfan-yl)methyl-ene]hydrazine.

Project description:The title compound, C(6)H(12)N(2)S(4), was obtained as a by-product (8%) during the reaction of the electrogenerated cyano-methyl anion with phenyl-amine, carbon disulfide and methyl iodide. The mol-ecule, with the exception of 8 H atoms, lies on a crystallographic mirror plane and is arranged around an inversion centre located at the mid-point of the N-N bond.

| S-EPMC2961342 | 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

2,5-Bis[(3-chloro-benz-yl)sulfan-yl]-1,3,4-thia-diazole.

Project description:The complete mol-ecule of the title compound, C(16)H(12)Cl(2)N(2)S(3), is generated by crystallographic twofold symmetry, with the S atom of the thiadiazole ring lying on the rotation axis. The dihedral angle between the mean planes of the 1,3,4-thia-diazole and benzene rings is 87.19?(7)°. In the crystal, mol-ecules are linked by C-H?N inter-actions and short S?S contacts [3.3389?(9)?Å] occur.

| S-EPMC3379226 | biostudies-literature

Bis[(5-phenyl-1,3,4-thia-diazol-2-yl)sulfan-yl]methane.

Project description:The asymmetric unit of the title compound, C(17)H(12)N(4)S(4), contains one half-mol-ecule situated on a twofold rotational axis. In the mol-ecule, the thia-diazole and attached phenyl rings are twisted by 5.8?(3)°.

| S-EPMC3011391 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

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