Hossein Eshtiagh-Hosseini

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Zinc(II) and copper(II) complexes containing Schiff base, 2- methoxy-6((E)-(phenylimino) methyl) phenol ligand (HL) were synthesized and characterized by elemental analysis, IR, NMR, and single crystal X-ray diffraction technique. The fluorescence properties and quantum yield of zinc complex were studied. Our data showed that Zn complex could bind to DNA(More)
Quantitative structure activity relationship (QSAR) for the anticancer activity of Fe(III)-salen and salen-like complexes was studied. The methods of density function theory (B3LYP/LANL2DZ) were used to optimize the structures. A pool of descriptors was calculated: 1497 theoretical descriptors and quantum-chemical parameters, shielding NMR, and electronic(More)
In the title hydrated mixed-cation salt, (C(5)H(8)N(3))(2)[Co(H(2)O)(6)](SO(4))(2)·2H(2)O, the complete octa-hedral hexa-aqua complex cation is generated by crystallographic inversion symmetry. In the crystal, the components are linked by O-H⋯O and N-H⋯O hydrogen bonds, the latter, involving pyrimidinium cations and sulfate anions, generating R(2) (2)(8)(More)
Transmission of polar substituent effects across the cubane ring system: F-19 substituent chemical shifts (SCS) of 4-substitute (X) cub-1-yl fluorides revisited Nature of transmission of polar substituent effects in gamma-disposed bicyclo[2.2.1]heptane (norbornane) and adamantane ring systems as monitored by F-19 NMR: A DFT-GIAO and-NBO A novel(More)
In the binuclear centrosymmetric title compound, [In(2)(C(7)H(3)NO(4))(2)(C(7)H(4)NO(4))(2)(H(2)O)(2)]·4H(2)O, which contains both pyridine-2,3-dicarboxyl-ate and 3-carb-oxy-pyridine-2-carboxyl-ate ligands, the In(III) atom is six-coordinated in a distorted octa-hedral geometry. One pyridine ligand is N,O-chelated while the other is N,O-chelated and at the(More)
The asymmetric unit of the title compound, (C(13)H(11)N(2))[Fe(C(7)H(3)NO(4))(2)]·4H(2)O, contains a 9-amino-acridinium cation, one anionic complex and four uncoordinated water mol-ecules. In the anionic complex, the Fe(III) ion is six-coordinated by two almost perpendicular [dihedral angle = 88.78 (7)°] pyridine-2,6-dicarboxyl-ate ligands in a distorted(More)
The asymmetric unit of the title complex, (C(6)H(8)N)(2)[Cu(C(7)H(3)NO(4))(2)]·6H(2)O, contains half a copper(II)-dipicolinate complex located on a twofold rotation axis, one protonated aniline mol-ecule and three solvent water mol-ecules. The Cu(II) atom is coordinated by four O atoms and two N atoms from two dipicolinate ligands in a distorted octa-hedral(More)
The title compound, [HgCl(2)(C(4)H(5)N(3))](n), features a two-dimensional network parallel to (001) that is based on an Hg(II) atom octahedrally coordinated by four μ(2)-Cl atoms and two μ(2)-2-amino-pyrimidine (apym) ligands in trans positions, yielding a distorted HgCl(4)N(2) octa-hedron. The coordination network can be described as an uninodal(More)
In the title compound, (C(13)H(11)N(2))(2)[Zn(C(7)H(3)NO(4))(2)]·3H(2)O, the Zn(II) ion is six-coordinated with the N(4)O(2) donor set being a distorted octa-hedron through two almost perpendicular (r.m.s. deviation of ligand atoms from the mean plane is 0.057 Å) tridentate pyridine-2,6-dicarboxyl-ate ligands [dihedral angle between the ligands = 86.06(More)
In the title compound, (C(5)H(7)N(2))[Fe(C(7)H(3)NO(4))(2)] or [2-apyH][Fe(pydc)(2)], the asymmetric unit contains an [Fe(pydc)(2)](-) (pydc is pyridine-2,6-dicarboxyl-ate) anion and a protonated 2-amino-pyridine cation ([2-apyH](+)). The complex anion contains an Fe(III) atom within a distorted octahedral FeN(2)O(4) coordination geometry. N-H⋯O and C-H⋯O(More)