Browse
Submit Data
Databases
API
Help

Dataset Information

0 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

Bis(2-thien-yl)acetyl-ene.

ABSTRACT: The planar [maximum deviation 0.0066?(4)?Å] symmetrical mol-ecule of the title compound, C(10)H(6)S(2), lies across a crystallographic inversion centre. The thio-phene rings are rotationally disordered about the acetyl-ene bond, with the two pseudo inversion-related S atoms in 0.80:0.20 occupancy sites. The C C bond distance is 1.195?(9)?Å.

SUBMITTER: Harcourt EM

PROVIDER: S-EPMC2970215 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

Bis(2-thien-yl)acetyl-ene.

Harcourt Emily M EM Lynch Daniel E DE Hamilton Darren G DG

Acta crystallographica. Section E, Structure reports online 20090919 Pt 10

The planar [maximum deviation 0.0066 (4) Å] symmetrical mol-ecule of the title compound, C(10)H(6)S(2), lies across a crystallographic inversion centre. The thio-phene rings are rotationally disordered about the acetyl-ene bond, with the two pseudo inversion-related S atoms in 0.80:0.20 occupancy sites. The C C bond distance is 1.195 (9) Å. ...[more]

PMID: 21577935

Similar Datasets

(2E,2'E)-1,1'-Bis(2,5-dimethyl-3-thien-yl)-3,3'-(p-phenyl-ene)diprop-2-en-1-one.

Project description:In the title bis-chalcone, C(24)H(22)O(2)S(2), the -C(O)CH=CH-C(6)H(4)-CH=CHC(O)- portion is planar (r.m.s. deviation = 0.04 Å); one thienyl ring is aligned at 8.8 (1)° with respect to this fragment, whereas the other is aligned at 21.3 (1)°.

| S-EPMC2977489 | biostudies-literature

3'-(4-Chloro-benzo-yl)-1'-methyl-4'-[5-(2-thien-yl)-2-thien-yl]spiro-[acenaphthyl-ene-1,2'-pyrrolidin]-2(1H)-one.

Project description:In the title compound, C(31)H(22)ClNO(2)S(2), the five-membered pyrrolidine ring, which exhibits an envelope conformation, makes a dihedral angle of 87.4 (2)° with the acenaphthyl-ene ring system. The crystal structure is stabilized by π-π inter-actions [centroid-centroid distance = 3.869 (2) Å]. A C atom and the S atom of the thiophene ring are disordered over two positions with refined occupancies of 0.629 (7) and 0.372 (7).

| S-EPMC3051732 | biostudies-literature

1'-Methyl-3'-(4-methyl-benzo-yl)-4'-[5-(2-thien-yl)-2-thien-yl]spiro-[acenaphthyl-ene-1,2'-pyrrolidin]-2(1H)-one.

Project description:In the title compound, C(32)H(25)NO(2)S(2), the mean plane through the five-membered pyrrolidine ring, which exhibits an envelope conformation, makes dihedral angles of 82.3 (1) and 83.9 (9)° with the benzene ring and the acenaphthyl-ene ring system, respectively. The dihedral angle between the thiophene rings is 19.0(3)°. The crystal structure shows C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.869 (2) Å].

| S-EPMC3051628 | biostudies-literature

1,2-Bis[5-(4-cyano-phen-yl)-2-methyl-3-thien-yl]-3,3,4,4,5,5-hexa-fluoro-cyclo-pent-1-ene: a photochromic diaryl-ethene compound.

Project description:The mol-ecules of the title compound, C(29)H(16)F(6)N(2)S(2), a photochromic dithienylethene with 4-cyano-phenyl substituents, adopt an anti-parallel arrangement that is reponsible for photoactivity. The mol-ecule lies on a twofold rotation axis. The dihedral angle between the nearly planar cyclo-pentenyl and heteroaryl rings is 142.5 (3)°, and that between the heteroaryl and benzene rings is 22.4 (3)°. The distance between the heteroaryl rings of adjacent mol-ecules is 3.601 (2) Å, indicating a π-π interaction.

| S-EPMC2961168 | biostudies-literature

2,5-Bis(5-bromo-2-thien-yl)thio-phene.

Project description:In the crystal structure of the title compound, C(12)H(6)Br(2)S(3), the mol-ecules are planar (r.m.s. deviation = 0.06?Å). Consecutive mol-ecules do not stack in a planar fashion. There is an angle of 81.7?(12)° between the planes of the closest mol-ecules.

| S-EPMC2970117 | biostudies-literature

4,4'-({[(Pyridine-2,6-di-yl)bis-(methyl-ene)]bis-(-oxy)}bis-(methyl-ene))dibenzo-nitrile.

Project description:The complete title molecule, C23H19N3O2, is generated by a twofold axis passing through the central ring. The two oxymethyl-benzo-nitrile arms are attached at the meta positions of the central pyridine ring. The dihedral angle between the pyridine ring and benzene ring of both arms is 84.55 (6)° while the benzene rings make a dihedral angle of 46.07 (7)°. In the crystal, weak C-H⋯π inter-actions link the molecules sheets parallel to the ac plane.

| S-EPMC3998298 | 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

1,5-Bis(4-chloro-phen-yl)-3-(2-thien-yl)pentane-1,5-dione.

Project description:In the title mol-ecule, C(21)H(16)Cl(2)O(2)S, the five-membered ring is rotationally disordered between two orientations in a 1:1 ratio. In the crystal structure, weak inter-molecular C-H⋯O hydrogen bonds link mol-ecules related by translation along the a axis into chains, which are further combined into layers parallel to the bc plane via C-H⋯π inter-actions. The crystal studied was a racemic twin with a 0.37 (19):0.63 (19) domain ratio.

| S-EPMC2959928 | biostudies-literature

Bis(4-acetyl-phen-yl) selenide.

Project description:In the title compound, C(16)H(14)O(2)Se, the dihedral angle between the benzene rings is 87.08?(11)°. In the crystal, mol-ecules are linked into layers parallel to the bc plane by inter-molecular C-H?O hydrogen bonds.

| S-EPMC3100006 | biostudies-literature

trans-2,3-Bis(2,4,5-trimethyl-3-thien-yl)but-2-enedinitrile.

Project description:In title compound, C(18)H(18)N(2)S(2), the dihedral angle between two thio-phene rings is 61.83 (8)°.

| S-EPMC3051658 | biostudies-literature