Crystal structure of bis(biimidazole-k2N,N')- bis(isothiocyanato-kN)cobalt(II)-dimethylsulfoxide (1:2), Co(C6H6N4)2(NCS)2 · 2C2H6SO

Qi-Ming Qiu, Yu-Heng Deng, Jing-Jing Sun, Wei Yang, Qiong-Hua Jin, Cun-Lin Zhang
2011 Zeitschrift für Kristallographie - New Crystal Structures  
C 18 H 24 CoN 10 O 2 S 4 ,monoclinic, P2 1 /n (no. 14), a =8.021(1) Å, b =16.120(2) Å, c =10.480 (2) Source of material An aqueoussolution(5mL) of cobalt sulphate (1 mmol, 0.250 g) was slowly poured dropwise into ahot aqueous solution (3 ml) of ammonium thiocyanate (1 mmol, 0.0761 g). The mixture was stirred for 10 mins. 2,2'-Biimidazole (H 2 biim,1mmol, 0.134 g) and DMSO (4 ml)were added to this mixture. The resultant mixture was refluxed for 30 min and then allowed to cool to ambient
more » ... to ambient temperature. The insoluble residues were removed by filtration, andt he filtrate wase vaporateds lowlya tr oomt emperature for aboutone week to yieldpinkcrystalline product. Block-shaped crystals suitable for single crystal X-ray diffraction were selected directly from theproduct. Experimental details Thedisorder of DMSO andisothiocyanategroupsisthe resultof intensethermal vibration of the terminal group, which is also responsible for the huge R values.The occupation parameters were obtained by normalization refinement. There is no relationship betweenthe parameters.S1and C9 were refinedwithc ommon ADPs, because areasonable occupation could be obtained.
doi:10.1524/ncrs.2011.0280 fatcat:xmtmmsofkzctfd5ku3tt33qgya