首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of a looped-chain CoII coordination polymer: catena-polybis­(nitrato-κO)cobalt(II)bis­μ-bis­(pyridin-3-ylmeth­yl)sulfane-κ2N:N′
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Crystal structure of a looped-chain CoII coordination polymer: catena-polybis­(nitrato-κO)cobalt(II)bis­μ-bis­(pyridin-3-ylmeth­yl)sulfane-κ2N:N′

机译:环链CoII配位聚合物的晶体结构:链-聚双­(nitrato-κO)钴(II)双­ μ-双­(吡啶-3-基甲基­基)环丁砜-κ2N:N

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摘要

The asymmetric unit of the title compound, [Co(NO3)2(C12H12N2S)2]n, contains a bis­(pyridin-3-ylmeth­yl)sulfane (L) ligand, an NO3 anion and half a CoII cation, which lies on an inversion centre. The CoII cation is six-coordinated, being bound to four pyridine N atoms from four symmetry-related L ligands. The remaining coordination sites are occupied by two O atoms from two symmetry-related nitrate anions in a monodentate manner. Thus, the CoII centre adopts a distorted octa­hedral geometry. Two symmetry-related L ligands are connected by two symmetry-related CoII cations, forming a 20-membered cyclic dimer, in which the CoII atoms are separated by 10.2922 (7) Å. The cyclic dimers are connected to each other by sharing CoII atoms, giving rise to the formation of an infinite looped chain propagating along the [101] direction. Inter­molecular C—H⋯π (H⋯ring centroid = 2.89 Å) inter­actions between one pair of corresponding L ligands and C—H⋯O hydrogen bonds between the L ligands and the nitrate anions occur in the looped chain. In the crystal, adjacent looped chains are connected by inter­molecular π–π stacking inter­actions [centroid-to-centroid distance = 3.8859 (14) Å] and C—H⋯π hydrogen bonds (H⋯ring centroid = 2.65 Å), leading to the formation of layers parallel to (101). These layers are further connected through C—H⋯O hydrogen bonds between the layers, resulting in the formation of a three-dimensional supra­molecular architecture.
机译:标题化合物[Co(NO3)2(C12H12N2S)2] n的不对称单元包含双(吡啶-3-基甲基)硫烷(L)配体,NO3 -阴离子和一半位于反转中心的Co II 阳离子。 Co II 阳离子六配位,与来自四个对称相关L配体的四个吡啶N原子结合。其余的配位位点以单齿方式被来自两个对称相关硝酸根阴离子的两个O原子占据。因此,Co II 中心采用了扭曲的八面体几何形状。两个对称相关的L配体通过两个对称相关的Co II 阳离子连接,形成20元环二聚体,其中Co II 原子之间的间隔为10.2922( 7)。环状二聚体通过共享Co II 原子相互连接,从而形成沿[101]方向传播的无限环链。一对相应的L配体之间的分子间CHHπ(H环质心= 2.89Å)相互作用以及L配体与硝酸根阴离子之间的CHOH氢键在环链中发生。在晶体中,相邻的环状链通过分子间π-π堆积相互作用[质心到质心的距离= 3.8859(14)Å]和C-H⋯π氢键(H⋯ring质心= 2.65Å)连接,从而导致平行于(101)的层的形成。这些层通过层之间的CHOH氢键进一步连接,导致形成三维超分子结构。

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