Synthesis, crystal structure of new linear trinuclear isovalence Co(II)([Co<sub>3sub>(H¨CL)<sub>2sub>(L)<sub>2sub>]), and visualizing intermolecular interactions with Hirshfeld surface method

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• 作者：Mohammad Yazdanbakhsh and Reza Takjoo
• 关键词：Trinuclear cobalt complex ; S ; allyldithiocarbazate ; Crystal structure ; Schiff base ; Hirshfeld surface
• 刊名：Structural Chemistry
• 出版年：2008
• 出版时间：December, 2008
• 年：2008
• 卷：19
• 期：6
• 页码：895-903
• 全文大小：560.3 KB

文摘

S-allyl-β-N-[(2-hydroxyphenyl)methylene]hyrazinecarbodithioate) (1, H<sub>2sub>L), the Schiff base of dithiocarbazate with unsaturated allyl substitution, can act as a new tridentate SNO ligand H<sub>2sub>–L and react with cobalt(II) nitrate hexahydrate to form the novel linear trinuclear isovalence Co(II) complex, [Co<sub>3sub>(H–L)<sub>2sub>(L)<sub>2sub>] 2C<sub>2sub>H<sub>5sub>OH (2). The compounds were characterized by elemental analysis, infrared, and ultraviolet spectroscopy. Compound 2 was also characterized by single-crystal X-ray analysis and crystallizes in the orthorhombic space group, Pbcn, with a = 30.643(1) ?, b = 9.118(4) ?, c = 19.017(7) ?, α = β = γ = 90¡ã, V = 5312.95 ?3, Z = 4, and R <sub>1sub> = 0.0790, (wR <sub>2sub>) = 0.1223. The six-coordinate central Co(II) atom is bonded to two deprotonated metal-containing ligands. The terminal Co(II) atoms are in a square planar SNON four-coordinate environment and connected to the central Co(II) by N-atoms from the ligand backbone. For quantifying the intermolecular interactions in crystal lattice, the new d <sub>normsub> surface and the breakdown of fingerprint plots have been used for visualizing and exploring the compound 2.