Rani Varsha, Singh Harkesh B, Butcher Ray J
Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400 076, India.
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
Acta Crystallogr E Crystallogr Commun. 2018 May 15;74(Pt 6):786-790. doi: 10.1107/S2056989018006394. eCollection 2018 Jun 1.
In the title salt, bis-{[5--butyl-1,3-bis-(1-pentyl-1-benzimidazol-2-yl)benzene]selenium} tetra-kis-(seleno-cyanato)-mercury, (CHNSe)[Hg(SeCN)], the aryl-selenenium cations, [CHNSe], are linked through [Hg(SeCN)] anions by C-H⋯N hydrogen bonds. In the cation, the geometry around the Se atom in the 5--butyl-1,3-bis-(1-pentyl-1-benzimidazol-2-yl)benzene scaffold is T-shaped, resulting from the coordination of Se by the C atom of the central aromatic ring and the N atoms of both of the benzimidazole moieties. The Se-N bond lengths are almost equal [2.087 (3) and 2.099 (3) Å] and the Se-C bond length is 1.886 (3) Å. The N-Se-N angle is 159.29 (11)°. The geometry around the Hg atom in the [Hg(SeCN)] anion is distorted tetra-hedral, with Se-Hg-Se angles ranging from 88.78 (3) to 126.64 (2)°. In [Hg(SeCN)], the Hg-Se bonds are unsymmetrical [2.5972 (4) and 2.7242 (5) Å]. One of the pentyl substituents is disordered over two equivalent conformations, with occupancies of 0.852 (8) and 0.148 (8).
在标题盐双-{[5-丁基-1,3-双-(1-戊基-1-苯并咪唑-2-基)苯]硒}四-(硒氰酸根)-汞，(C₃₀H₄₀N₄Se₂)[Hg(SeCN)₄]中，芳基硒阳离子，[C₃₀H₄₀N₄Se₂]²⁺，通过C-H⋯N氢键与[Hg(SeCN)₄]²⁻阴离子相连。在阳离子中，5-丁基-1,3-双-(1-戊基-1-苯并咪唑-2-基)苯骨架中Se原子周围的几何构型为T形，这是由于中心芳环的C原子和两个苯并咪唑部分的N原子与Se配位所致。Se-N键长几乎相等[2.087(3)和2.099(3) Å]，Se-C键长为1.886(3) Å。N-Se-N角为159.29(11)°。[Hg(SeCN)₄]²⁻阴离子中Hg原子周围的几何构型为扭曲四面体，Se-Hg-Se角范围为88.78(3)至126.64(2)°。在[Hg(SeCN)₄]²⁻中，Hg-Se键不对称[2.5972(4)和2.7242(5) Å]。其中一个戊基取代基在两个等效构象上无序，占有率分别为0.852(8)和0.148(8)。
