Dibromidobis(2-methyl-5-phenyl-s-triazolo[3,4-b][1,3,4]thiadiazole-κN)nickel(II)

Abstract

Key indicators: single-crystal X-ray study; T = 298 K; mean (C-C) = 0.006 Å; R factor = 0.044; wR factor = 0.116; data-to-parameter ratio = 15.7.The title complex, [NiBr 2 (C 10 H 8 N 4 S) 2 ], is a mononuclear molecule consisting of an Ni II ion, two 2-methyl-5-phenyl-striazolo[3,4-b][1,3,4]thiadiazole ligands and two bromide ligands. The Ni II atom, located on a center of symmetry, displays a square-planar coordination geometry. Intermolecular C-HÁ Á ÁBr hydrogen bonds andcontacts [centroid-centroid distance = 3.58 (6) Å ] stabilize the supramolecular structure. Related literatureFor related literature, see: Fornies-Marquina et al. (1974); Huang et al. (2005); Naveen et al. (2006). Experimental Crystal data [NiBr 2 (C 10 H 8 N 4 S) 2 ] M r = 651.06 Triclinic, P1 a = 6.8286 (10) Å b = 8.5231 (13) Å c = 11.3654 (16) Å = 98.442 (2) = 105.614 (3) = 108.859 (2) V = 582.69 (15) Å 3 Z = 1 Mo K radiation = 4.47 mm À1 T = 298 (2) K 0.25 Â 0.20 Â 0.14 mm Data collectionBruker APEXII area-detector diffractometer Absorption correction: multi-scan (SADABS;Sheldrick, 1996) T min = 0.37, T max = 0.53 4173 measured reflections 2383 independent reflections 1595 reflections with I > 2(I) R int = 0.101