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