Al Balushi Rayya A, Khan Muhammad S, Faizi Md Serajul Haque, Haque Ashanul, Molloy Kieran, Raithby Paul R
Department of Basic Sciences, College of Applied and Health Science, Al Sharqiyah University, PO Box 42, Ibra 400, Sultanate of Oman.
Department of Chemistry, Sultan Qaboos University, PO Box 36, Al-Khod 123, Sultanate of Oman.
Acta Crystallogr E Crystallogr Commun. 2021 Jan 1;77(Pt 1):42-46. doi: 10.1107/S2056989020015935.
In the crystal structure of the title compound, [CuClO(CHN)]·CHCl, the core mol-ecular structure consists of a Cu tetra-hedron with a central inter-stitial O atom. Each edge of the Cu tetra-hedron is bridged by a chlorido ligand. Each copper(II) cation is coordinated to the central O atom, two chlorido ligands and one atom of the 4-phenyl-ethynyl-pyridine ligand. In the crystal, the mol-ecules are linked by inter-molecular C-H⋯Cl inter-actions. Furthermore, C-H⋯π and π-π inter-actions also connect the mol-ecules, forming a three-dimensional network. Hirshfeld surface analysis indicates that the most important contributions for the packing arrangement are from H⋯H and C⋯H/H⋯C inter-actions.
在标题化合物[CuClO(CHN)]·CHCl的晶体结构中，核心分子结构由一个带有中心间隙O原子的铜四面体组成。铜四面体的每条边都由一个氯配体桥连。每个铜(II)阳离子与中心O原子、两个氯配体以及4-苯基乙炔基吡啶配体的一个原子配位。在晶体中，分子通过分子间C-H⋯Cl相互作用相连。此外，C-H⋯π和π-π相互作用也连接分子，形成三维网络。 Hirshfeld表面分析表明，堆积排列中最重要的贡献来自H⋯H和C⋯H/H⋯C相互作用。
