
Journal of Molecular Structure p. 167 - 173 (2002)
Update date:2022-08-05
Topics:
Sun, Ying-Ji
Chen, Xiao-Yan
Cheng, Peng
Yan, Shi-Ping
Liao, Dai-Zheng
Jiang, Zong-Hui
Shen, Pan-Wen
Two nickel(II) complexes with thiocyanate and different substituted pyrazole ligands, [Ni(pzR)4(SCN)2] (R = ph for (1) and n-But for (2), pzR = 3-substituted pyrazole), have been synthesized and their crystal structures have been determined. The compound 1 crystallizes in the monoclinic system, space group P21/n, a = 8.591(5) ?, b = 17.936(10) ?, c = 12.861(7) ?, β = 106.490(10)°, Z = 2, R1 = 0.0665, wR2 = 0.1375. The compound 2 crystallizes in the monoclinic system, space group P21/c, a = 12.805(3) ?, b = 22.718(5) ?, c = 13.396(3) ?, β = 94.480(5)°, Z = 4, R1 = 0.0729, wR2 = 0.1665. The nickel(II) ion in each complex is coordinated by four pyrazole nitrogen atoms and two nitrogen atoms of NCS- to form a distorted octahedron. The two nitrogen atoms of NCS- are located at axial positions and the four nitrogen atoms of pyrazoles are located at equatorial positions. The average Ni-N(pzR) and Ni-N(NCS) bond lengths are observed to be 2.111 and 2.068 ? for 1, 2.095 and 2.098 ? for 2, respectively. In 1, the intermolecular hydrogen bonds form quasi 1D structure. The intramolecular hydrogen bonds are found in 2. The spectroscopic and bond properties have also been discussed.
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