Gavrish Sergey P, Shova Sergiu, Lampeka Yaroslaw D
L.V. Pisarzhevskii Institute of Physical Chemistry of the National Academy of Sciences of Ukraine, Prospekt Nauki 31, Kyiv 03028, Ukraine.
"Petru Poni" Institute of Macromolecular Chemistry, Department of Inorganic, Polymers, Aleea Grigore Ghica Voda 41A, RO-700487 Iasi, Romania.
Acta Crystallogr E Crystallogr Commun. 2021 Oct 29;77(Pt 11):1185-1189. doi: 10.1107/S2056989021011166. eCollection 2021 Nov 1.
The asymmetric unit of the first title compound iodido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ , , , )zinc(II) iodide, [ZnI(CHN)]I, , consists of the zinc-cyclam macrocyclic cation with one iodide anion coordinated to the metal ion [Zn-I = 2.6619 (5) Å] and the second present as a counter-ion. The asymmetric unit of the second title compound iodido-(1,4,8,11-tetra-aza-cyclo-tetra-decane-κ , , , )zinc(II) triiodide, [ZnI(CHN)]I, , consists of half of the centrosymmetric macrocyclic cation, in which the Zn ion coordinated to an iodide anion [Zn-I = 2.766 (2) Å] is disordered over two positions [Zn⋯Zn = 0.810 (3) Å], and of the two halves of the crystallographically non-equivalent, non-coordinated, centrosymmetric triiodide anions. In both compounds, the ,,,-tetra-dentate macrocyclic ligand is present in the most energetically favored -III conformation. In the crystals of , the [Zn(CHN)I] cations and the non-coordinated iodide anions are linked by N-H⋯I and bifurcated N-H⋯(I,I) hydrogen bonds, resulting in the formation of two-dimensional networks lying parallel to the (001) and (101) planes. In contrast, the crystals of are built up from infinite chains of the five-coordinate macrocyclic units arranged along the -axis direction and perpendicular sheets formed of the triiodide counter-ions without significant hydrogen bonding between them.
首个标题化合物碘化（1,4,8,11-四氮杂环十四烷-κN1,N4,N8,N11）碘化锌（II），[ZnI(C10H24N4)]I，的不对称单元由锌-环胺大环阳离子组成，其中一个碘阴离子与金属离子配位[Zn-I = 2.6619 (5) Å]，第二个碘阴离子作为抗衡离子存在。第二个标题化合物碘化（1,4,8,11-四氮杂环十四烷-κN1,N4,N8,N11）三碘化锌（II），[ZnI(C10H24N4)]I3，的不对称单元由中心对称大环阳离子的一半组成，其中与一个碘阴离子配位的Zn离子[Zn-I = 2.766 (2) Å]在两个位置上无序[Zn⋯Zn = 0.810 (3) Å]，还有两个晶体学上不等价、未配位的中心对称三碘阴离子的一半。在这两种化合物中，N1,N4,N8,N11-四齿大环配体以能量上最有利的-III构象存在。在[Zn(C10H24N4)I]I的晶体中，[Zn(CHN)I]阳离子和未配位的碘阴离子通过N-H⋯I和分叉的N-H⋯(I,I)氢键相连，形成平行于(001)和(101)平面的二维网络。相比之下，[Zn(C10H24N4)I3]的晶体由沿z轴方向排列的五配位大环单元的无限链和由三碘阴离子形成的垂直片层组成，它们之间没有明显的氢键。
