Crystal structure of bis(3-phenylpyridine-κN)bis(thiocyanato- κS)-platinum(II), C_(24)H_(18)N_4PtS_2

摘要

(Equation presentation) (Table presentation) Source of material To a solution of K2PtCl4 (0.205 g, 0.493 mmol) in H2O (40 ml) were added KSCN (0.505 g, 5.194 mmol) and 3-phenylpyridine (ppy; 0.174 g, 1.121mmol) in EtOH (10 ml) and stirred for 24 h at room temperature. The formed precipitate was separated by filtration, washed with H2O and EtOH, and dried at 50 °C, to give a pale yellow powder (0.244 g). Crystals suitable for X-ray diffraction analysis were obtained by slow evaporation from a CH3CN solution. Experimental details Hydrogen atoms were positioned geometrically and allowed to ride on their parent atoms with d(C-H) = 0.95 ? and Uiso(H) = 1.2Ueq(C). The highest peak (1.16 e.?-3) and the deepest hole (-0.90 e.?-3) in the difference Fourier map are located 0.89?and 0.89 ? from the atom Pt1, respectively. Discussion Crystal structures of the related Pd(II) complex [PdCl2(ppy)2] and Pt(IV) anionic complex (H-ppy)[PtCl5(ppy)].H2O have been reported previously [1, 2]. The central Pt(II) ion in the title complex [Pt(SCN)2(ppy)2] has a trans-S2N2 square-planar coordination defined by two N atoms from two 3-phenylpyridine ligands and two S atoms of two SCN- anions. The Pt atom is located on an inversion center, and therefore the asymmetric unit contains one half of the complex and the PtS2N2 moiety is exactly planar. The pyridine ring of the ligand is almost perpendicular to the PtS2N2 plane (86.4(1)°). In the crystal structure, the ppy ligand is not planar. The pyridine and phenyl rings are twisted by 20.7(2)°. The thiocyanato ligand is almost linear with a S-C-N bond angle of 179.0(5)°, and the S atoms are coordinated to the Pt atom with the nearly tetrahedral Pt-S-C bond angle of 105.4(2)°, characteristic of an S-bonded conformation [3, 4]. The complex molecules are stacked in columns along [010] with d(Pt...Pt) = 5.3464(8) ? (= length of b axis) and successive complexes stack in opposite directions along [001]. In the columns, several intermolecular π-π interactions between the aromatic rings are present. The shortest distance between Cg1 (the centroid of ring N1-C5) and Cg2i (the centroid of ring C6-C11, symmetry code i: x, y-1, z) is 3.777(3) ?, and the dihedral angle between the ring planes is 20.7(2)°. Moreover, the complex displays intermolecular C-H...N hydrogen bonds with d(C...N) = 3.395(7) ? and 3.402(7) ?. (Table presentation).