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Hydrogen bonding supramolecular networks of copper(II) 2-choronicotinate complexes with picolinamide, nicotinamide, N-methyl-nicotinamide, 2-pyridylmethanol and 4-pyridylmethanol: Hirshfeld surface analysis and spectral properties
Chemical Papers ( IF 2.1 ) Pub Date : 2020-05-31 , DOI: 10.1007/s11696-020-01224-z
Flora Jozefikova , Lenka Kuckova , Jan Lokaj , Milan Mazur , Jan Moncol

The crystal and molecular structure of copper(II) 2-chloronicotinate (2-Clnic) of the composition [Cu(2-Clnic)2(pia)2] (pia = Picolinamide) (1), [Cu(2-Clnic)2(nia)2] (nia = Nicotinamide) (2), [Cu(2-Clnic)2(nia)2(H2O)]·H2O (3), [Cu(2-Clnic)2(mna)2(H2O)2] (mna = N-methylnicotinamide) (4), [Cu(2-Clnic)2(2 pm)2] (2 pm = 2-Pyridylmethanol) (5), and [Cu(2-Clnic)2(4 pm)2(H2O)2]·2H2O (4 pm = 4-Pyridylmethanol) (6) were determined by single-crystal X-ray analysis. Crystal structures of the respective complexes are monomeric with a different composition of coordination sphere about Cu(II) atom. The arrangement about Cu(II) in all coordination compounds are pseudooctahedral trans-coordinated, where carboxylic groups are bidentate (2,3) or monodentate (1,36) coordinated to atom copper. The molecules of all compounds are connected by strong N–H···O, N–H···N and/or O–H···O hydrogen bonds. EPR spectra of powder complexes 16 were measured and computer-simulated.

中文翻译:

2-choronicotinate铜(II)与吡啶啉酰胺,烟酰胺,N-甲基-烟酰胺,2-吡啶基甲醇和4-吡啶基甲醇的氢键超分子网络:Hirshfeld表面分析和光谱性质

组成为[Cu(2-Clnic)2(pia)2 ](pia = Picolinamide)(1),[Cu(2-Clnic)的2-氯烟酸铜(II)(2-Clnic)的晶体和分子结构2(nia)2 ](nia =烟酰胺)(2),[Cu(2-Clnic)2(nia)2(H 2 O)]·H 2 O(3),[Cu(2-Clnic)2( mna)2(H 2 O)2 ](mna =  N-甲基烟酰胺)(4),[Cu(2-Clnic)2(2 pm)2 ](2 pm = 2-吡啶基甲醇)(5)和[Cu(2-Clnic)2(4 pm)2(H 2 O)2 ]·2H 2 O(4 pm = 4-吡啶基甲醇)(6)通过单晶X射线分析确定。各个配合物的晶体结构是单体,关于Cu(II)原子的配位球组成不同。在所有配位化合物约铜的装置(II)是pseudooctahedral配位的,其中羧酸基团是二齿(23)或单齿(13 - 6)与原子铜配位。所有化合物的分子均通过强N–H··O,NH–··N和/或O–H···O氢键连接。粉末的EPR谱络合物1 - 6进行测量和计算机模拟。
更新日期:2020-05-31
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