Rani Varsha, Singh Harkesh B, Butcher Ray J
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
Acta Crystallogr E Crystallogr Commun. 2018 Feb 23;74(Pt 3):390-393. doi: 10.1107/S2056989018002645. eCollection 2018 Mar 1.
In the title salt, (CHNTe)[HgI(CHO)], the aryl-tellurenium [CHNTe] cations and [HgI(dioxane)] anions are linked by a short inter-action between the Te atom and one of the I-atom donors of the anion, as well as through weak C-H⋯I inter-actions. The geometry around the Te atom is T-shaped with the coordination comprising a C atom of the central aromatic ring and two N atom donors of the benzimidazolyl moiety. The Te-N bond lengths are almost equal [2.232 (3) and 2.244 (3) Å], while the Te-C bond length is 2.071 (4) Å. The N-Te-N bond angle is 150.68 (11)°. The Hg atom of the anion is coordinated by iodide ions from three sides and the fourth coordination site is occupied by an O atom of the solvent mol-ecule (dioxane). Thus, it attains a trigonal-pyrimidal geometry, with O-Hg-I angles ranging of 90.76 (8) and 96.76 (7)° and I-Hg-I angles ranging from 112.41 (1) to 125.10 (1)°. The cations and anions are involved in numerous weak π-π stacking inter-actions involving both the central phenyl ring and two inversion-related benzimidazole moieties, which propagate in the -axis direction. In addition, there are numerous C-H⋯I inter-actions between the cations and anions, which link them into a complex three-dimensional array.
在标题盐(CHNTe)[HgI(CHO)]中,芳基碲鎓[CHNTe]阳离子和[HgI(二氧六环)]阴离子通过碲原子与阴离子的一个碘原子供体之间的短程相互作用以及弱C-H⋯I相互作用相连。碲原子周围的几何构型为T形,其配位包括中心芳环的一个碳原子和苯并咪唑基部分的两个氮原子供体。Te-N键长几乎相等[2.232 (3) 和2.244 (3) Å],而Te-C键长为2.071 (4) Å。N-Te-N键角为150.68 (11)°。阴离子的汞原子由来自三个方向的碘离子配位,第四个配位点被溶剂分子(二氧六环)的一个氧原子占据。因此,它具有三角锥几何构型,O-Hg-I角范围为90.76 (8) 和96.76 (7)°,I-Hg-I角范围为112.41 (1) 至125.10 (1)°。阳离子和阴离子参与了许多涉及中心苯环和两个与反演相关的苯并咪唑部分的弱π-π堆积相互作用,这些相互作用沿轴方向传播。此外,阳离子和阴离子之间存在许多C-H⋯I相互作用,将它们连接成一个复杂的三维阵列。