35 research outputs found
5-(1,3-Dithiolo[4,5-d][1,3]dithiol-2-ylidene)-1,3-dithiolo[4,5-c][1,2,5]thiadiazole: an unsymmetrical tetrathiafulvalene with fused 1,2,5-thiadiazole and 1,3-dithiole rings
The title unsymmetrical tetrathiafulvalene (TTF), C7H2N2S7, contains fused 1,2,5-thiadiazole and 1,3-dithiole rings and is a component molecule for conducting organic solids. The TTF molecule is disordered crystallographically over two orientations related by an inversion center, where each site is half-occupied. The molecule is almost planar with an r.m.s. deviation of 0.096 Å. In the crystal structure, molecules are linked by short intermolecular S⋯S interactions [3.47 (2), 3.507 (8) and 3.517 (13) Å]
(3Z,3′Z)-3,3′-(Ethane-1,2-diylidene)bis[isobenzofuran-1(3H)-one]
The title compound, C18H10O4, has been isolated as an impurity in commercially available 6,11-dihydroxy-5,12-naphthacenedione. The title compound exhibits yellow fluorescence in the solid state. The molecule has crystallographic inversion symmetry and is planar, with an r.m.s. deviation of 0.031 (1) Å. The crystal structure is stabilized by C—H⋯O hydrogen bonds and π–π stacking interactions between 3-methyleneisobenzofuran-1(3H)-one units [interplanar distance 3.43 (1) Å]
5-Isopropylidene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione
The title compound, C7H6S5, contains a 5-ylidene-1,3-dithiolo[4,5-d][1,3]dithiole-2-thione framework, which is an important synthetic precursor of multi-dimensional organic superconductors and conductors. The molecular framework is planar with an r.m.s. deviation of 0.012 Å for the non-H atoms. In the crystal structure, molecules are linked by short intermolecular S⋯S interactions [3.501 (5) and 3.581 (4) Å], constructing a zigzag molecular tape network along the c axis
Bis(tetra-n-butylammonium) bis(5,6-dicyanopyrazine-2,3-dithiolato-κ2 S,S′)palladium(II)
In the title complex, (C16H36N)2[Pd(C6N4S2)2], the centrosymmetric dianion is planar, with an r.m.s. deviation of 0.034 (8) Å. The PdII atom, lying on an inversion center, has a square-planar coordination geometry, with Pd—S bond lengths of 2.276 (3) and 2.294 (3) Å
5,5′-Di-4-pyridyl-2,2′-(5-tert-butyl-m-phenylene)bis(1,3,4-oxadiazole)
The title compound, C24H20N6O2, is a novel 1,3,4-oxadiazole derivative which has potential as an electron-transporting material in organic electroluminescent (EL) devices. In the crystal, the molecular framework is almost planar with an r.m.s. deviation of 0.091 (4) Å and it exists in an E form. Intramolecular C—H⋯O and C—H⋯N hydrogen bonds are observed between the benzene and 1,3,4-oxadiazole rings. The tert-butyl group is disordered over two sites, with occupancy factors of 0.78 (1) and 0.22 (1) for the major and minor orientations, respectively. In the crystal structure, molecules aggregate via C—H⋯N interactions, forming molecular tapes along the b axis, which aggregate to form a molecular sheet via C—H⋯N interactions
5,5-Bis(4-methoxyphenyl)-2,8-bis[3-(trifluoromethyl)phenyl]-5H-cyclopenta[2,1-b:3,4-b’]dipyridine
The title compound, C39H26F6N2O2, showed two melting transitions 477.4 and 506.5 K in a differential scanning calorimetry (DSC) study. The first of these can be attributed to a melting phase transition arising from the rotation of two trifluoromethyl groups. In the crystal structure, both trifluoromethyl groups are disordered over two sites with occupancy factors of 0.660 (17) and 0.340 (17) for the major and minor orientations, respectively. The introduction of trifluoromethyl groups inhibits π-stacking between the diazafluorene (cyclopenta[2,1-b:3,4-b’]dipyridine) units. Three short F⋯O contacts between 2.80 (3) and 2.95 (1) Å are observed in the crystal structure
3,8-Bis(4-chlorophenyl)-4,7-dimethyltricyclo[4.2.2.02,5]deca-3,7-diene
The title tricyclic diene, C24H22Cl2, is the product of thermal ring-opening of a corresponding basketane (pentacyclo[4.4.0.02,5.03,8.04,7]decane) derivative. The cyclobutene ring is planar to within 0.0032 (12) Å and its geometry is normal. The two 4-chlorophenyl groups are oriented in an approximately face-to-face conformation with a dihedral angle of 44.14 (6)° between them. The 4-chlorophenyl group bonded to the cyclobutene ring lies almost in the plane of the cyclobutene ring, with a dihedral angle of 8.29 (17)° between the ring planes. The average intramolecular C⋯C distance between the two C=C bonds is 2.92 Å. In the crystal structure, the molecules are well separated with no close C—H⋯Cl or C—H⋯π intermolecular interactions
Diethyl 2,3-dihydrothieno[3,4-b]-1,4-dioxine-5,7-dicarboxylate
The title compound, C12H14O6S, is a dicarboxylic acid diethyl ester of 3,4-ethylenedioxythiophene, which is a component of electrically conductive poly(3,4-ethylenedioxythiophene) (PEDOT). The ethylene group is disordered over two sites with occupancy factors 0.64 and 0.36. Both the carbonyl groups are coplanar with the thiophene ring. The molecules form centrosymmetric dimers with an R
2
2(12) coupling by intermolecular C—H⋯O hydrogen bonds [3.333 (5) Å] at the ethoxycarbonyl groups. The dimer units are arranged to form a ribbon-like molecular sheet
(E)-2-(2,6-Dichlorophenyl)-2-(phenylimino)acetamide
In the title compound, C14H10Cl2N2O, which is an important synthetic precursor of a human immunodeficiency virus type 1 (HIV-1) inhibitor, the dihedral angle between the 2,6-dichlorophenyl ring and the phenyl ring is 69.4 (1)°. In the crystal structure, the molecules form centrosymmetric dimers via N—H⋯O hydrogen bonds with an R
2
2(8) motif. The dimers are connected by intermolecular C—H⋯O and C—H⋯π interactions
6,11-Dihydroxynaphthacene-5,12-dione
The molecule of the title compound, C18H10O4, is centrosymmetric and planar. A long phenolic O—H bond is observed [1.19 (9) Å], which is involved in an intramolecular hydrogen bond between the phenolic and quinonoid O atoms. The molecules pack in a herringbone pattern and are linked to each other via intermolecular C—H⋯O hydrogen bonds (2.73–2.77 Å)