Neis Christian, Kradolfer Thomas, Hegetschweiler Kaspar
Fachrichtung Chemie, Universität des Saarlandes, Postfach 151150, D-66041 Saarbrücken, Germany.
Kantonsschule Zürcher Oberland, Bühlstrasse 36, CH-8620 Wetzikon, Switzerland.
Acta Crystallogr C Struct Chem. 2014 Jun;70(Pt 6):632-7. doi: 10.1107/S2053229614011036. Epub 2014 May 28.
Single crystals of (1,3-diamino-5-azaniumyl-1,3,5-trideoxy-cis-inositol-κ(3)O(2),O(4),O(6))(1,3,5-triamino-1,3,5-trideoxy-cis-inositol-κ(3)O(2),O(4),O(6))lithium(I) diiodide dihydrate, [Li(C6H16N3O3)(C6H15N3O3)]I2·2H2O or [Li(Htaci)(taci)]I2·2H2O (taci is 1,3,5-triamino-1,3,5-trideoxy-cis-inositol), (I), bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol-κ(3)O(2),O(4),O(6))sodium(I) iodide, [Na(C6H15N3O3)2]I or [Na(taci)2]I, (II), and bis(1,3,5-triamino-1,3,5-trideoxy-cis-inositol-κ(3)O(2),O(4),O(6))potassium(I) iodide, [K(C6H15N3O3)2]I or [K(taci)2]I, (III), were grown by diffusion of MeOH into aqueous solutions of the complexes. The structures of the Na and K complexes are isotypic. In all three complexes, the taci ligands adopt a chair conformation with axial hydroxy groups, and the metal cations exhibit exclusive O-atom coordination. The six O atoms of the resulting MO6 unit define a centrosymmetric trigonal antiprism with approximate D3d symmetry. The interligand O···O distances increase significantly in the order Li < Na < K. The structure of (I) exhibits a complex three-dimensional network of R-NH2-H···NH2-R, R-O-H···NH2-R and R-O-H···O(H)-H···NH2-R hydrogen bonds. The structures of the Na and K complexes consist of a stack of layers, in which each taci ligand is bonded to three neighbours via pairwise O-H···NH2 interactions between vicinal HO-CH-CH-NH2 groups.
(1,3 - 二氨基 - 5 - 铵基 - 1,3,5 - 三脱氧 - 顺式 - 肌醇 - κ(3)O(2),O(4),O(6))(1,3,5 - 三氨基 - 1,3,5 - 三脱氧 - 顺式 - 肌醇 - κ(3)O(2),O(4),O(6))碘化锂(I)二水合物，[Li(C₆H₁₆N₃O₃)(C₆H₁₅N₃O₃)]I₂·2H₂O 或 [Li(Htaci)(taci)]I₂·2H₂O（taci 为 1,3,5 - 三氨基 - 1,3,5 - 三脱氧 - 顺式 - 肌醇），(I)；双(1,3,5 - 三氨基 - 1,3,5 - 三脱氧 - 顺式 - 肌醇 - κ(3)O(2),O(4),O(6))碘化钠(I)，[Na(C₆H₁₅N₃O₃)₂]I 或 [Na(taci)₂]I，(II)；以及双(1,3,5 - 三氨基 - 1,3,5 - 三脱氧 - 顺式 - 肌醇 - κ(3)O(2),O(4),O(6))碘化钾(I)，[K(C₆H₁₅N₃O₃)₂]I 或 [K(taci)₂]I，(III)，通过甲醇扩散到配合物的水溶液中生长得到。钠和钾配合物的结构是同型的。在所有三种配合物中，taci 配体采取具有轴向羟基的椅式构象，并且金属阳离子表现出仅与 O 原子配位。所得 MO₆单元的六个 O 原子定义了一个具有近似 D₃d 对称性的中心对称三角反棱柱。配体间 O···O 距离按 Li < Na < K 的顺序显著增加。(I)的结构呈现出由 R - NH₂ - H···NH₂ - R、R - O - H···NH₂ - R 和 R - O - H···O(H) - H···NH₂ - R 氢键构成的复杂三维网络。钠和钾配合物的结构由一系列层组成，其中每个 taci 配体通过相邻 HO - CH - CH - NH₂基团之间的成对 O - H···NH₂相互作用与三个相邻配体相连。
