249 research outputs found

    2-Sulfanyl­idene-1,2-dihydro­pyridine-3-carbohydrazide

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    All non-H atoms of the title compound, C6H7N3OS, which exists in the thione form, lie in a common plane (r.m.s. of non-H atoms = 0.08 Å). The amino group of the –NH–NH2 substituent forms an intra­molecular hydrogen bond to the S atom. The terminal –NH2 group is pyramidally coordinated; it forms a weak N—H⋯O and a weak N—H⋯S hydrogen bond. Furthermore, the N atom is an acceptor for a C—H⋯N contact. The amino group of the ring is a hydrogen-bond donor to the carbonyl O atom of an adjacent mol­ecule, this inter­action giving rise to a linear chain motif running along the b axis

    N′-[(1E)-(2,6-Difluoro­phen­yl)methyl­idene]thio­phene-2-carbohydrazide

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    In the title compound, C12H8F2N2OS, the thienyl ring is disordered over two positions, with the S atom of the major component [occupancy = 75.03 (18)%] oriented away from an ortho-F atom of the benzene ring. The mol­ecule is nearly planar, the dihedral angle between the thio­phene and benzene rings being 6.19 (18) (in the major component) or 3.5 (6)° (in the minor component). The azomethine C=N double-bond in the mol­ecule is of an E configuration. In the crystal, mol­ecules are linked by pairs of N—H⋯O hydrogen bonds, generating inversion dimers

    Di-n-butyl­ammonium 2-[(3,5-di-tert-butyl-4-hy­droxy­benz­yl)sulfan­yl]benzoate

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    The title salt, C8H20N+·C22H27O3S−, is a proton-transfer compound derived from the recently reported parent carb­oxy­lic acid [Alhadi et al. (2010). Acta Cryst. E66, o1787] by the addition of a second equivalent of di-n-butyl­amine, yielding the di-n-butyl­ammonium carboxyl­ate salt. The structure of the carboxyl­ate anion resembles that of the parent carb­oxy­lic acid. The main difference lies in the position of the H atom in the 4-hy­droxy group. In the anion the O—H bond is perpendicular, rather than parallel, to the benzyl ring. This position appears to facilitate hydrogen bonding to an O atom of the carboxyl­ate group of a symmetry-related anion. In addition, there are three N—H⋯O hydrogen bonds. In contrast, the neutral species hydrogen bonds via a carboxylic acid dimer. The dihedral angle between the benzene rings in the anion is 79.19 (7)°

    catena-Poly[[penta-μ-benzoato-μ-chlorido-dioxanedineodymium(III)] dioxane 2.5-solvate]

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    The asymmetric unit of the title compound, [Nd2(C6H5COO)5Cl(C4H8O2)]·2.5C4H8O2, consists of two NdIII ions bridged by one Cl− ion, five benzoate ions and one coordinating 1,4-dioxane mol­ecule. One NdIII ion is nine-coordinate, with a very distorted monocapped square-anti­prismatic geometry. It is coordinated by two chelating carboxyl­ate groups, three monodentate carboxyl­ate groups, one chloride ion and one dioxane mol­ecule. A second independent NdIII ion is eight-coordinated in a distorted square-anti­prismatic geometry by one chelating carboxyl­ate group, five monodentate carboxyl­ate groups and one chloride ion. The chains of the extended structure are parallel to the crystallographic b axis. There is a small amount of void space which is filled with five disordered dioxane solvent mol­ecules per unit cell. The intensity contribution of the disordered solvent molecules was removed by applying the SQUEEZE procedure in PLATON [Spek (2009). Acta Cryst. D65, 148–155]

    Cu2ZnSiS4

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    Single crystals of Cu2ZnSiS4, dicopper(I) zinc silicon tetrasulfide, have been prepared via high-temperature solid-state synthesis. Cu2ZnSiS4 was found to have the wurtz-stannite structure type, like that of Li2CdGeS4, Li2CdSnS4, and Cu2CdSiS4. Each sulfur anion is tetra­hedrally coordinated by two Cu cations, one Si cation, and one Zn cation, forming a three-dimensional honeycomb structure. When viewed along the c axis, the atoms are aligned in rows in which each cation alternates with the sulfur anions

    Tetra­kis(4-cyano­pyridine)­palladium(II) bis­(trifluoro­methane­sulfonate)

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    The title salt, [Pd(C6H4N2)4](CF3SO3)2, comprises Pd(4-cyano­pyridine)4 dications balanced by two trifluoro­methane­sulfonate anions. The PdII atom lies in a square-planar geometry defined by four N atoms which form equivalent Pd—N inter­actions. The 4-cyano­pyridine ligands are twisted out of the N4 plane, forming dihedral angles ranging from 66.5 (2) to 89.9 (2)°. In the crystal packing, columns of edge-to-edge dications define channels in which reside the anions. A range of C—H⋯N and C—H⋯O hydrogen-bonding interactions stabilizes the crystal packing

    3,4-Dimethyl-N-(2,4,5-trimeth­oxy­benzyl­idene)-1,2-isoxazol-5-amine

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    In the title compound, C15H18N2O4, the aromatic rings on the azomethine double bond are trans to each other [C—C=N—C torsion angle = −178.29 (12)°] and they are approximately coplanar, the dihedral angle between them being 5.0 (1)°

    2-(4-Chloro­phen­yl)-3,5-dimethyl-1λ6,2-thia­zine-1,1-dione

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    In the title compound, C12H12ClNO2S, the S atom is displaced by 0.708 (2) Å out of the plane through the remaining atoms of the thia­zine ring (r.m.s. deviation = 0.0823 Å). This plane makes a dihedral angle of 89.33 (7)° with the phenyl ring. In the crystal, adjacent mol­ecules are connected through C—H⋯O hydrogen bonds into layers parallel to the bc plane

    N,N,N′,N′-Tetra­ethyl­pyridine-2,6-dicarboxamide

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    The title compound, C15H23N3O2, crystallizes with two mol­ecules in the asymmetric unit which are linked by a C—H⋯N hydrogen bond. In the crystal, mol­ecules are connected via weak C—H⋯O and C—H⋯N hydrogen bonds between the amide O atoms and ethyl chains and between pyridine N atoms and aromatic H atoms in para positions. C—H⋯π inter­actions also occur

    9-(5-Bromo-2-hy­droxy­phen­yl)-10-(2-hy­droxy­prop­yl)-3,3,6,6-tetra­methyl-1,2,3,4,5,6,7,8,9,10-deca­hydro­acridine-1,8-dione

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    The dihydro­pyridine ring in the title compound, C26H32BrNO4, adopts an envelope conformation with the methine C atom representing the flap. The cyclo­hexenone rings also adopt envelope conformations. The phenolic hy­droxy group forms an intra­molecular hydrogen bond to one of the two keto O atoms. Inter­molecular weak C—H⋯O hydrogen bonding is present in the crystal structure. The hy­droxy­propyl group is disordered over two sets of sites with an occupancy ratio of 0.636 (6):0.364 (6)
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