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首页> 外文期刊>Acta Crystallographica, Section B. Structural Science >Structural relationship of various squarates
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Structural relationship of various squarates

机译:各种平方的结构关系

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This work illustrates the structural relationship between three types of metal squarates as well as the ligand in its acid form and in its monoanion salt. Squaric acid, H2C4O4, is known to have a polymeric layer structure with planar molecules connected through intermolecular hydrogen bonds. The interlayer distance is only 2.649 A. The crystal of H2NMe2[H3(C4O4)2] is found to contain columns of [H3(C4O4)2-] repeating units, again connected by intermolecular hydrogen bonds. Within the repeated unit, there is a symmetric hydrogen bond connected to two HC4O4 moieties. A new type of metal squarate with M(HC4O4)2(H20)4 [M = Mnn, Fe11 both belong to space group PI, Z = 1, a = 5.194 (3), 6 = 7.454(2), c= 8.901 (2) A, α = 67.07(2), β = 77.26(3), γ = 74.46 (4)°, for MnD] is shown to have a layer-type structure, where all [HC4O4] units are bonded into infinite chains via symmetric hydrogen bonds, each (HC4O4)2~ ligand bridging two metal ions (/^-2) in a trans fashion. The structurally most well understood metal squarate M(C4O4)(H2O)4 (A/ = Mn", Fe11, Co", Ni11 and Zn11, space group C2/c, Z = 4) is again a polymeric chain with C4O4i- serving as a bridging ligand between two metal ions (/z-2) in trans positions. A three-dimensional polymeric structure is found to have the formula M(C4O4)(H2O)2, where C4O4~ is a bridging ligand between four metal ions {ix-4). Due to the slight difference in packing, there are two structure types in this category: one is in space group R3 [M - Fe11, a = 11.440(2), c = 14.504(3) A, Z = 9], the other is in Pn3n [M = Co11, a = 16.255 (3) A, Z = 24]. The structural relationship between all these structures relies heavily on the understanding of intra- and intermole cular hydrogen bonds. The interesting building blocks of each compound will be illustrated. There are tunnels of various sizes in all these structures.
机译:这项工作说明了三种类型的金属方酸之间的结构关系,以及其酸形式和单阴离子盐形式的配体。已知方酸H2C4O4具有聚合物层结构,其平面分子通过分子间氢键连接。层间距离仅为2.649A。发现H2NMe2 [H3(C4O4)2]的晶体包含[H3(C4O4)2-]重复单元的列,并通过分子间氢键连接。在重复单元内,有一个对称的氢键连接到两个HC4O4部分。 M(HC4O4)2(H20)4 [M = Mnn,Fe11都属于空间群PI,Z = 1,a = 5.194(3),6 = 7.454(2),c = 8.901的新型金属方晶(2)对于MnD],A,α= 67.07(2),β= 77.26(3),γ= 74.46(4)°具有层状结构,其中所有[HC4O4]单元均键合成无限大每个(HC4O4)2〜配体通过对称的氢键成反式连接两个金属离子(/ ^-2)。结构上最易理解的金属方酸金属M(C4O4)(H2O)4(A / = Mn“,Fe11,Co”,Ni11和Zn11,空间组C2 / c,Z = 4)再次是具有C4O4i-的聚合物链作为反式两个金属离子(/ z-2)之间的桥联配体。发现三维聚合物结构具有式M(C 4 O 4)(H 2 O)2,其中C 4 O 4-是四个金属离子{ix-4)之间的桥连配体。由于包装的细微差异,该类别中有两种结构类型:一种在空间群R3中[M-Fe11,a = 11.440(2),c = 14.504(3)A,Z = 9],另一种在Pn3n中[M = Co11,a = 16.255(3)A,Z = 24]。所有这些结构之间的结构关系在很大程度上取决于对分子内和分子间氢键的理解。将说明每种化合物的有趣构建基块。所有这些结构中都有各种尺寸的隧道。

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