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

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    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]

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    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

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    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)

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    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)

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    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

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    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

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    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

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    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

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    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

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    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)
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