首页> 美国卫生研究院文献>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (44′-bipyridyl-κN)bis­N-(2-hydroxy­ethyl)-N-iso­propyl­dithio­carbamato-κ2SS′zinc(II)–44′-bipyridyl (2/1) and its isostructural cadmium(II) analogue
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Crystal structure of (44′-bipyridyl-κN)bis­N-(2-hydroxy­ethyl)-N-iso­propyl­dithio­carbamato-κ2SS′zinc(II)–44′-bipyridyl (2/1) and its isostructural cadmium(II) analogue

机译:(44-联吡啶基-κN)双­ N-(2-羟基­乙基)-N-异丙基­二硫­氨基甲酸酯-κ2的晶体结构SS锌(II)–44-联吡啶(2/1)及其同构镉(II)类似物

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摘要

The title structures, [M(C6H12NOS2)2(C10H8N2)]·0.5C10H8N2, for M = Zn, (I), and Cd, (II), feature terminally bound 4,4′-bipyridyl ligands and non-coordinating 4,4′-bi­pyridyl mol­ecules, with the latter disposed about a centre of inversion. The coordination geometry about the metal atom is defined by two non-symmetrically chelating di­thio­carbamate ligands and a pyridyl N atom. The NS4 donor sets are distorted but, approximate to trigonal bipyramidal in each case. In the crystal, hy­droxy-O—H⋯O(hy­droxy) and hy­droxy-O—H⋯N(pyrid­yl) hydrogen bonds between the zinc-containing mol­ecules lead to a supra­molecular layer parallel to (100). The three-dimensional architecture arises as the layers are linked via methine-C—H⋯S, pyridyl-C—H⋯O(hy­droxy) and π–π [inter-centroid distance between coordinated pyridyl rings = 3.6246 (18) Å] inter­actions. Channels along the c-axis direction are occupied by the non-coordinating 4,4′-bipyridine mol­ecules, which are held in place by C—H⋯π(chelate ring) contacts.
机译:标题结构[M(C6H12NOS2)2(C10H8N2)]·0.5C10H8N2,对于M = Zn(I)和Cd(II),具有末端结合的4,4'-联吡啶配体和非配位4, 4'-联吡啶基分子,后者位于反转中心附近。关于金属原子的配位几何结构由两个非对称螯合的二硫代氨基甲酸酯配体和一个吡啶基N原子定义。 NS4供体组失真,但在每种情况下均近似于三角双锥体。在晶体中,含锌分子之间的氢氧-OH-H(O)和氢氧-OH-N(吡啶基)氢键形成平行于(100)的超分子层。当层通过次甲基-C⋯S,吡啶基-CCO(羟基)和π-π[配位的吡啶基环之间的质心间距离= 3.6246(18)linkedÅ]连接时,产生了三维结构互动。沿着c轴方向的通道被非配位的4,4'-联吡啶分子占据,这些分子通过C-H⋯π(螯合物环)触点固定在适当的位置。

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