187 research outputs found

    catena-Poly[[aqua­bis­(N 6-benzyl­adenine-κN 3)copper(II)]-μ-benzene-1,4-dicarboxyl­ato-κ2 O 1:O 4]

    Get PDF
    In the title compound, [Cu(C8H4O4)(C12H11N5)2(H2O)]n, the CuII ion is five-coordinated by two carboxyl­ate O atoms from two symmetry-related benzene-1,4-dicarboxyl­ate ligands, two N atoms from two symmetry-related N 6-benzyl­adenine ligands and one water O atom in a square-pyramidal environment. The CuII and water O atoms lie on a twofold rotation axis, and the benzene-1,4-dicarboxyl­ate ligand lies on an inversion center. The water O atom occupies the apical position and the basal plane is occupied by two O atoms and two N atoms. Each benzene-1,4-dicarboxyl­ate anion acts as a bis-monodentate ligand that binds two CuII cations, forming an infinite chain extending parallel to [001]. The N 6-benzyl­adenine ligands are attached on both sides of the chain. Neighboring chains are further inter­connected into the resulting three-dimensional supra­molecular architecture via O—H⋯O, N—H⋯O and N—H⋯N hydrogen bonds

    3-Deoxy­aconitine from the root of Aconitum Carmichaeli Debx.

    Get PDF
    The title compound (systematic name: 8β-acet­oxy-14α-benzo­yloxy-N-ethyl-13β,15α-dihydr­oxy-1α,6α,16β-trimeth­oxy-4β-methoxy­methyl­eneaconitane), C34H47NO10, is a typical aconitine-type C19-diterpenoid alkaloid, and was isolated from the roots of the Aconitum carmichaeli Debx. The mol­ecule has an aconitine carbon skeleton with four six-membered rings and two five-membered rings, whose geometry is similar to these observed in other C19-diterpenoid alkaloids; both of five-membered rings have the envelope configurations and the six-membered N-containing heterocyclic ring displays a chair conformation. Intra­molecular O—H⋯O hydrogen bonding occurs. Weak inter­molecular C—H⋯O hydrogen bonding is observed in the crystal structure

    (Z)-Methyl 4-(1,3-benzothia­zol-2-yl­sulfan­yl)-2-(methoxy­imino)-3-oxo­butanoate

    Get PDF
    In the mol­ecular structure of the title compound, C13H12N2O4S2, there is a dihedral angle of 0.41 (13)° between the benzene and thia­zole rings. In the crystal, inversion dimers linked by two C—H⋯O inter­actions together with π–π stacking between the parallel benzene rings of adjacent mol­ecules [centroid–centroid distance = 3.673 (2) Å]

    Di-μ-sulfato-bis­[diaqua­(1H-imidazo[4,5-f][1,10]phenanthroline)nickel(II)] dihydrate

    Get PDF
    In the title compound, [Ni2(SO4)2(C13H8N4)2(H2O)4]·2H2O, the complete dimeric complex is generated by an inversion center. The NiII atoms are octa­hedrally coordinated by two N atoms from one 1H-imidazo[4,5-f][1,10]phenanthroline (IP) ligand and two O atoms from two adjacent sulfate ions forming the equatorial plane, with two coordinated water mol­ecules in the axial sites. Both of the sulfate ions act as bidentate-bridging ligands connecting the two NiII ions, thus generating a binuclear complex. In the crystal structure, O—H⋯O and O—H⋯N hydrogen bonds involving the coordinated and uncoordinated water mol­ecules and N—H⋯O links lead to the formation of a two-dimensional sheet structure developing parallel to (010). Weak π–π stacking inter­actions [centroid–centroid separation = 3.613 (2) Å] between the IP ligands also occur

    Benzyl 2,5-dioxopyrrolidin-1-yl carbonate

    Get PDF
    The asymmetric unit of the title compound, C12H11NO5, contains two independent mol­ecules with similar geometric parameters but different orientations of the phenyl rings. The mol­ecular packing is stabilized by weak nonclassical C—H⋯O hydrogen-bonding inter­actions

    (±)-4a-(4-Nitro­benz­yl)-2,3,4,4a-tetra­hydro-1H-carbazole

    Get PDF
    The title mol­ecule, C19H18N2O2, is built up from three fused rings, viz. phenyl, pyrrole and cyclo­hexane, linked to a nitro­benzyl group. The C atom bearing the nitro­benzyl group is chiral and the compound is a racemate (R/S). The dihedral angle between the nitro­benzyl and indole rings is 57.49 (5)°. The cyclo­hexane ring adopts a slightly distorted chair conformation

    1-(4-Amino-3,5-dichloro­phen­yl)ethanol

    Get PDF
    The asymmetric unit of the title compound, C8H9Cl2NO, contains two crystallographically independent mol­ecules which are connected via an N—H⋯O hydrogen bond . There is aromatic π–π stacking in the crystal, with a centroid–centroid distance between benzene rings of 3.48 (2)Å. The crystal packing is stabilized by intermolecular hydrogen bonds

    N-(Ferrocenylmethyl)­dodecan-1-amine

    Get PDF
    The title compound, [Fe(C5H5)(C18H32N)], was synthesized by the amination of ferrocenecarbaldehyde. In the complex, the two cyclo­penta­dienyl (Cp) rings are almost parallel with a dihedral angle of 1.36 (8)°, and are separated by a centroid–centroid distance of 3.299 (2) Å. In the crystal, adjacent mol­ecules are linked into a one-dimensional supra­molecular structure via weak C—H⋯π inter­actions between the Cp ring H atom and the Cp ring

    Diethyl [hydr­oxy(phen­yl)meth­yl]phospho­nate

    Get PDF
    Mol­ecules of the title compound, C11H17O4P, are linked into chiral helical chains along the crystallographic b axis via O—H⋯O hydrogen bonds between the hydr­oxy group and an O atom of the phospho­nate group. One ethyl group is disordered over two positions; the site occupancy factors are ca 0.7 and 0.3

    Synthesis and crystal structure of 1,4,10,13-tetraoxa-7,16-diazoniumcyclo-octadecane bis(4-chloro-2-methyl-phenoxyacetate)

    Get PDF
    The title compound was prepared by the reaction of 1,4,10,13-tetraoxa-7,16-diazacyclo-octadecane with 4-chloro-2-methyl-phenoxyacetic acid in a ratio of 1:2. The structure has been proved by the data of elemental analysis, IR spectroscopy, NMR (1H, 13C) technique and by X-ray diffraction analysis. Intermolecular hydrogen bonds between the azonium protons and oxygen atoms of the carboxylate groups were found. Immunoactive properties of the title compound have been screened. The compound has the ability to suppress spontaneous and Con A-stimulated cell proliferation in vitro and therefore can be considered as immunodepressant
    corecore