首页> 外文期刊>Journal of chemical crystallography >Solvothermal Synthesis and Crystal Structure of a 18-Membered Macrocycle Schiff Base Dinuclear Copper(II) Complex: Cu-2(NO3)(4)(APTY)(4) (APTY=1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-d ihydro-3H-pyrazol-3-one)
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Solvothermal Synthesis and Crystal Structure of a 18-Membered Macrocycle Schiff Base Dinuclear Copper(II) Complex: Cu-2(NO3)(4)(APTY)(4) (APTY=1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene]amino}-1,2-d ihydro-3H-pyrazol-3-one)

机译:十八元大环席夫碱双核铜(II)配合物的溶剂热合成和晶体结构:Cu-2(NO3)(4)(APTY)(4)(APTY = 1,5-二甲基-2-苯基-4- {[((1E)-吡啶-4-基亚甲基]氨基} -1,2-d ihydro-3H-吡唑-3-酮)

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摘要

A new 18-membered macrocycle Schiff base dinuclear copper(II) complex: Cu-2(NO3)(4)(APTY)(4) (1) (APTY = 1,5-dimethyl-2-phenyl-4-{[(1E)-pyridine-4-ylmethylene] amino}-1,2-dihydro-3H-pyrazol-3-one), has been successfully synthesized by solvothermal treatment of Cu(NO3)(2)center dot 6H(2)O with APTY. Compound 1 crystallizes in the triclinic space group P-1 with cell parameters: a = 10.556(2) angstrom, b = 12.075(2) angstrom, c = 15.230(3) angstrom, alpha = 74.75(3), beta = 81.50(3), gamma = 70.60(3)degrees, V = 1762.7(6) angstrom(3), R1 = 0.0493, wR2 = 0.1400, Z = 1, D-calc = 1.455 g/cm(3), F( 000) = 798, S = 1.009. In the compound molecules, each of the six-coordinated Cu II atoms are bridged by APTY ligands into 18-membered macrocycle, and each the Cu2+ atoms exhibits a significantly distorted octahedral geometry. The crystal packing is stabilized by C-H center dot center dot center dot O hydrogen-bonding interactions into a three-dimensional supramolecular framework.
机译:一个新的18元大环席夫碱双核铜(II)配合物:Cu-2(NO3)(4)(APTY)(4)(1)(APTY = 1,5-二甲基-2-苯基-4-{[ (1E)-吡啶-4-基亚甲基]氨基} -1,2-二氢-3H-吡唑-3-酮)已经通过溶剂热处理Cu(NO3)(2)中心点6H(2)O成功合成与APTY。化合物1在三斜空间群P-1中结晶,其细胞参数为:a = 10.556(2)埃,b = 12.075(2)埃,c = 15.230(3)埃,alpha = 74.75(3),beta = 81.50( 3),伽玛= 70.60(3)度,V = 1762.7(6)埃(3),R1 = 0.0493,wR2 = 0.1400,Z = 1,D-calc = 1.455 g / cm(3),F(000) = 798,S = 1.009。在化合物分子中,六个配位的Cu II原子被APTY配体桥接成18元大环,并且每个Cu2 +原子都呈现出明显扭曲的八面体几何形状。晶体堆积通过C-H中心点中心点中心点O氢键合相互作用稳定到三维超分子框架中。

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