ABSTRACT
The asymmetric unit of the title compound, C(12)H(16)O(2), contains two independent mol-ecules in which the dihedral angles between the benzene and cyclo-propane rings are 75.9â (3) and 76.3â (3)°. In the crystal, the mol-ecules are connected by O-Hâ¯O hydrogen bonds into a three dimensional supra-molecular structure.
ABSTRACT
Four new transition metal complexes (Habtz)(2)[M(DCA)(2)]·6H(2)O (M=Co(II) (1), Ni(II) (2), Cu(II) (3), Zn(II) (4); DCA=demethylcantharate, 7-oxabicyclo [2.2.1]heptane-2,3-dicarboxylate, C(8)H(8)O(5); Habtz=2-aminobenzothiazole acid, C(7)H(7)N(2)S) were synthesized and characterized by elemental analysis, molar conductance, infrared spectra and thermogravimetric analysis. The coordination number of complex was six. The X-ray diffraction analysis indicated that complex 3 crystallized in the triclinic crystal system with P1¯ space group. The DNA-binding properties of the complexes were investigated by electronic absorption spectra, fluorescence spectra, viscosity measurements. Title complexes could bind to DNA via partial intercalative mode. The K(b) of the complexes were 5.33×10(4) (1), 7.04×10(4) (2), 9.91×10(4) (3) and 5.03×10(4) L mol(-1) (4). The results of agarose gel electrophoresis showed that Cu(II) complex could cleave pBR322 plasmid DNA via radical-based mechanism. The complexes could quench the intrinsic fluorescence of bovine serum albumin (BSA) through a static quenching with the binding constants K(a) of 1.11×10(4) (1), 1.24×10(6) (2), 8.42×10(5) (3) and 1.75×10(4) L mol(-1) (4). The complexes had intense antiproliferative activities against human hepatoma cell lines (SMMC7721) and human gastric cancer cells (MGC80-3) lines in vitro. Cu(II) complex had the strongest activity against human gastric cancer cells.
Subject(s)
Antineoplastic Agents/pharmacology , Benzothiazoles/pharmacology , Cantharidin/analogs & derivatives , Coordination Complexes/pharmacology , Transition Elements/pharmacology , Animals , Antineoplastic Agents/chemistry , Antineoplastic Agents/metabolism , Benzothiazoles/chemistry , Benzothiazoles/metabolism , Cantharidin/chemistry , Cantharidin/metabolism , Cantharidin/pharmacology , Carcinoma, Hepatocellular/drug therapy , Cattle , Cell Line, Tumor , Cell Proliferation/drug effects , Coordination Complexes/chemistry , Coordination Complexes/metabolism , Crystallography, X-Ray , DNA/metabolism , Humans , Liver Neoplasms/drug therapy , Models, Molecular , Serum Albumin, Bovine/metabolism , Stomach Neoplasms/drug therapy , Transition Elements/chemistry , Transition Elements/metabolismABSTRACT
In the title compound, C(16)H(15)N(3)O(3), the dihedral angle between the approximately planar benzimidazolyl group (r.m.s. deviation = 0.010â Å) and the pyrrolidine ring is 78.20â (6)°. The C-C-N bond angle of the bridging CH(2) group is 112.14â (16)°. In the crystal, mol-ecules are linked via N-Hâ¯N hydrogen bonds, forming infinite chains parallel to [101] and [10[Formula: see text]].
ABSTRACT
The title compound, {[Cd(C(8)H(8)O(5))(C(10)H(8)N(2))]·H(2)O}(n), was obtained by the reaction of cadmium acetate with 2,2'-bi-pyridine and 7-oxabicyclo-(2.2.1)heptane-2,3-dicarb-oxy-lic anhydride. The Cd(II) atom is seven-coordinated in a distorted penta-gonal-bipyramidal configuration, defined by five O atoms from the carboxyl-ate groups of three 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxyl-ato ligands and two N atoms from the 2,2'-bipyridine ligand. Two O atoms link two Cd(II) atoms, forming a dinuclear center: the Cd-O-Cd bridging angle is 110.19â (6)°. The polymeric structure extends along [100] and is linked by inter-molecular O-Hâ¯O hydrogen bonds involving the solvent water molecule. Extensive π-π stacking exists between 2,2-bypiridine ligands along [010] with centroid-centroid distance of 3.650â (2)â Å
ABSTRACT
In the crystal structure of the title salt, (C(7)H(7)N(2)S)(2)[Co(C(8)H(8)O(5))(2)]·6H(2)O, the heterocyclic N atom of the 2-amino-benzothia-zole mol-ecule is protonated. The Co(II) atom is situated on an inversion centre and exhibits a slightly distorted octa-hedral CoO(6) coordination defined by the bridging O atoms of the bicyclo-heptane unit and four carboxyl-ate O atoms of two symmetry-related and fully deprotonated ligands. The crystal packing is stabilized by N-Hâ¯O hydrogen bonds between the cations and anions and by O-Hâ¯O hydrogen bonds including the crystal water mol-ecules.
