Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

3,3'-Bithio-phene.

ABSTRACT: The title compound, C(8)H(6)S(2), is disordered [occupancy ratio = 0.839 (2):0.161 (2)] and sits across a centre of symmetry. In the crystal, the mol-ecules are linked by a weak C-H⋯π inter-action.

SUBMITTER: Costa JC

PROVIDER: S-EPMC2983999 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

3,3'-Bithio-phene.

Costa José C S JC Gomes Ligia R LR Santos Luís M N B F LM Low John Nicolson JN

Acta crystallographica. Section E, Structure reports online 20100324 Pt 4

The title compound, C(8)H(6)S(2), is disordered [occupancy ratio = 0.839 (2):0.161 (2)] and sits across a centre of symmetry. In the crystal, the mol-ecules are linked by a weak C-H⋯π inter-action. ...[more]

PMID: 21580726

Similar Datasets

2,2'-Bithio-phene-3,3'-dicarbonitrile.

Project description:The complete mol-ecule of the title compound, C(10)H(4)N(2)S(2), is generated by an inversion center situated at the mid-point of the bridging C-C bond. The bithio-phene ring system is planar [maximum deviation = 0.003 (2) Å] and the central C-C bond length is 1.450 (2) Å. There are no significant inter-molecular inter-actions in the crystal structure, which is stabilized by van der Waals inter-actions.

| S-EPMC3414987 | biostudies-literature

3,3',5,5'-Tetra-bromo-2,2'-bithio-phene.

Project description:The title compound, C(8)H(2)Br(4)S(2), was prepared by bromination of 2,2'-bithio-phene with bromine. The mol-ecule is located on a crystallographic twofold rotation axis, thereby imposing equal geometry of the two thio-phene rings. Each five-membered ring is planar [maximum deviation 0.011 (9) Å] and the dihedral angle between the planes through the rings is 47.2 (4)°. The mol-ecules are arranged to minimize intramolecular contacts between the 3-3' and 5-5'-bromine atoms.

| S-EPMC2977652 | biostudies-literature

Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate.

Project description:The asymmetric unit of the title compound, C(26)H(26)N(2)O(6)S, contains two independent mol-ecules; each has twofold symmetry with the S atom and the mid-point of the C-C bond of the thio-phene ring located on a twofold rotation axis. In the two mol-ecules, the terminal benzene rings are oriented at dihedral angles of 65.8 (3) and 63.5 (3)° with respect to the central thio-phene rings. The meth-oxy-carbonyl group of one mol-ecule is disordered over two positions with site-occupancy factors of 0.277 (12) and 0.723 (12). Inter-molecular N-H⋯O hydrogen bonding is present in the crystal structure.

| S-EPMC3007902 | biostudies-literature

2,2'-(3,3'-Dihexyl-2,2'-bithio-phene-5,5'-di-yl)bis-(4,4,5,5-tetra-methyl-1,3,2-dioxaborolane).

Project description:In the title mol-ecule, C(32)H(52)B(2)O(4)S(2), the two thio-phene rings are twisted by 67.34 (2)°. In the crystal, weak C-H⋯O hydrogen bonds link mol-ecules related by translation along the a axis into chains.

| S-EPMC3239133 | biostudies-literature

Ethyl 2-(3,3-dibutyl-thio-ureido)-4,5,6,7-tetra-hydro-benzo[b]thio-phene-3-carboxyl-ate.

Project description:In the title compound, C(20)H(32)N(2)O(2)S(2), the cyclo-hexene ring is disordered over two half-boat conformations with occupancy factors of 0.71:0.29. One n-butyl chain is also disordered over two positions with occupancy factors of 0.83:0.17. The mol-ecular conformation is stabilized by an intra-molecular N-H⋯O hydrogen bond.

| S-EPMC2971811 | biostudies-literature

Dimethyl 3,3'-diphenyl-2,2'-[(S)-thio-phene-2,5-diylbis(carbonyl-aza-nedi-yl)]dipropano-ate tetra-hydro-furan monosolvate.

Project description:The title compound, C(26)H(26)N(2)O(6)S·C(4)H(8)O, a solvated bis-amide derivative, is also a chiral amino acid ester with l-phenyl-alanine methyl ester groups as amine substituents. The thio-phene-2,5-dicarboxamide core approximates C(2) point symmetry. The tetra-hydro-furan solvent mol-ecule is linked to the main mol-ecule through an inter-molecular N-H⋯O hydrogen bond. The central ring makes dihedral angles of 90.0 (2) and 76.5 (2)° with the pendant rings.

| S-EPMC2983431 | biostudies-literature

2,3,4-Tribromo-thio-phene.

Project description:In the title compound, C(4)HBr(3)S, there are two essentially planar mol-ecules in the asymmetric unit. In the crystal structure, bifurcated C-H⋯Br hydrogen bonds link the mol-ecules into chains. Weak Br⋯Br inter-actions [Br⋯Br = 3.634 (4)-3.691 (4) Å] then lead to undulating sheets in the bc plane.

| S-EPMC2960970 | biostudies-literature

Thio-phene-2-carbaldehyde azine.

Project description:The asymmetric unit of the title compound, C10H8N2S2, is composed of two independent half-mol-ecules, each residing on a center of symmetry. In the crystal, weak C-H⋯π inter-actions join the two symmetry-independent molecules together into interlinked chains parallel to [011]. The crystal structure was refined as a two-component pseudo-merohedral twin using the twin law 001 0-10 100. The refined domain fractions are 0.516 (3) and 0.484 (3).

| S-EPMC3685067 | biostudies-literature

Thio-phene-2-carbonyl azide.

Project description:The title compound, C5H3N3OS, is almost planar (r.m.s. deviation for the ten non-H atoms = 0.018 Å) and forms an extended layer structure in the (100) plane, held together via hydrogen-bonding inter-actions between adjacent mol-ecules. Of particular note is the occurrence of RC-H⋯N(-)=N(+)=NR inter-actions between an aromatic C-H group and an azide moiety which, in conjunction with a complementary C-H⋯O=C inter-action, forms a nine-membered ring.

| S-EPMC3793789 | biostudies-literature

2-Iodo-5-nitro-thio-phene.

Project description:The title compound, C(4)H(2)INO(2)S, was synthesized by nitration of iodo-thio-phene with acetyl nitrate. The molecule is essentially planar, withthe nitro group tilted by 1.78 (19)° and the iodine atom displaced by 0.0233 (2) Å with respect to the thiophene ring. In the crystal structure, adjacent mol-ecules are linked through weak I⋯O inter-actions [3.039 (2)Å], forming chains extending along the b axis.

| S-EPMC2979622 | 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