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首页> 外文期刊>Crystallography reports >Crystal structures of 6-[(2-hydroxy-1,1-bishydroxymethylethylamino)methylene]-2,4-dinitrocyclohexa-2,4-dienone hydrate and complexes of copper(II) chloride and copper(II) nitrate with this ligand
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Crystal structures of 6-[(2-hydroxy-1,1-bishydroxymethylethylamino)methylene]-2,4-dinitrocyclohexa-2,4-dienone hydrate and complexes of copper(II) chloride and copper(II) nitrate with this ligand

机译:6-[((2-羟基-1,1-双羟基甲基乙基氨基)亚甲基] -2,4-二硝基环己-2,4-二烯酮水合物的晶体结构以及氯化铜(II)和硝酸铜(II)与该配体的配合物

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The crystal structures of 6-[(2-hydroxy-1,1-bishydroxymethylethylamino)methylene]-2,4-dinitrocyclohexa-2,4-dienone hydrate L center dot H2O (I), chloro-(2-hydroxymethyl-2-methylpropane-1,3-diol-2-iminomethyl-4,6-dinitrophenolo)aquacopper hydrate [Cu(H2O)(L-H)Cl] center dot H2O (II), and (2-hydroxymethyl-2-methylpropane-1,3-diol-2-iminomethyl-4,6-dinitrophenolo)aquacopper nitrate [Cu(H2O)(L-H)]NO3 (III) are determined using X-ray diffraction. It is established that the salicylidene fragment of azomethine L in the structure of compound I is in a quinoid tautomeric form. In the crystal, molecules L and water molecules are joined together by hydrogen bonds into two-dimensional layers aligned parallel to the (010) plane. The copper atom in the structure of compound II coordinates the singly deprotonated tridentate molecule L (whose salicylidene fragment is in a benzenoid form), the chlorine ion, and the water molecule. The coordination polyhedron of the central copper atom is a distorted tetragonal pyramid. In the structure of compound III, the polymer chains are formed through the coordination bonds of the copper atom with two oxygen atoms of the amino alcohol fragment of azomethine L of the neighboring complex, which is related to the initial complex by the translation along the x axis. The coordination polyhedron of the central atom is an elongated tetragonal bipyramid. Polymers and nitro groups form a three-dimensional framework through hydrogen bonds.
机译:6-[((2-羟基-1,1-双羟甲基乙基氨基)亚甲基] -2,4-二硝基环己-2,4-二烯酮水合物L中心点H2O(I),氯-(2-羟甲基-2-甲基丙烷-1,3-二醇-2-亚氨基甲基-4,6-二硝基苯酚)水铜[Cu(H2O)(LH)Cl]中心点H2O(II)和(2-羟甲基-2-甲基丙烷-1,3使用X射线衍射法测定-二醇-2-亚氨基甲基-4,6-二硝基苯酚)aquacopper硝酸盐[Cu(H2O)(LH)] NO3(III)。已经确定,在化合物I的结构中,偶氮甲碱L的水杨叉片段为醌型互变异构形式。在晶体中,分子L和水分子通过氢键结合在一起,形成平行于(010)平面的二维层。化合物Ⅱ的结构中的铜原子配位了单个去质子化的三齿分子L(其亚水杨基片段呈苯甲酸盐形式),氯离子和水分子。中心铜原子的配位多面体是扭曲的四角锥。在化合物III的结构中,聚合物链是通过铜原子与相邻配合物的偶氮甲碱L的氨基甲磺酸L的氨基醇片段的两个氧原子的配位键形成的,这与初始配合物通过沿x的平移有关轴。中心原子的配位多面体是细长的四方双锥体。聚合物和硝基通过氢键形成三维构架。

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