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Two fluoro-substituted 2-pyrazoline derivatives, 1-phenyl-3-(4-methoxyphenyl)-5-(4-fluorophenyl)-2-pyrazoline (1) and 1-phenyl-3-(4-methoxyphenyl)-5-(2-fluoro-phenyl)-2-pyrazoline (2) have been synthesized and characterized by elemental analysis, IR, UV-Vis and fluorescence spectra. The crystal structure of 1 has been determined by X-ray single crystal diffraction. For the two compounds, density functional theory (DFT) calculations of the structures and natural population atomic charge analysis (NPA) have been performed at B3LYP/6-311G** level of theory. By using TD-DFT method, electron spectra of 1 and 2 have been predicted, which are very approximate with the experimental ones. Comparative studies on 1 and 2 indicate that the location change of fluorine atom in 5-position phenyl ring of 2-pyrazoline does not make significant change of geometries and electronic transition bands, but it leads to evident change of atomic charge distributions and peak intensities of UV and fluorescence spectra.

Two modifications of the α and β forms of propyl mercaptan nickel(II) cluster, [Ni 6 (SCH 2 CH 2 CH 3 ) 12 ], have been synthesized and their crystal structures have been determined by single-crystal X-ray diffraction. The alkyl groups are away from Ni 6 ring in α form whereas they are near to the Ni atom in β form. The distance of Ni-H in β form [2.576(5) A] is much shorter than that in α form [3.101(2) A]. In the crystal lattice of β form, the whole structure forms a flower shape.

The title compound, [Co2(H2PO4)4(C10H8N2)2], is dinuclear, centred on a symmetry centre of the P1 space group. Each Co atom has a distorted square-pyramidal coordination involving two N atoms from a bipyridine molecule and three O atoms from two bridging and one terminal dihydrogen orthophosphate anion. The molecular structure and packing are stabilized by intermolecular hydrogen-bond interactions.

In the two title compounds, C 17 H 14 N 4 OS, (I), and C 18 H 16 N 4 -O 2 S, (II), the dihedral angles between the planes of the triazole and N-phenyl rings and the plane of five of the atoms that link these two rings are 63.5 (8) and 73.2 (6)° for (I), and 65.1 (1) and 72.1 (3)° for (II), respectively. There are some inter- and intramolecular interactions in the crystal structure.