-α,α-5,15-双（-烟酰胺基-苯基）-10,20-二苯基卟啉 - 己烷单溶剂合物
-α,α-5,15-Bis(-nicotinamido-phen-yl)-10,20-diphen-ylporphyrin -hexane monosolvate.
作者信息
Sun Xiaotao, Li Jianfeng
机构信息
College of Materials Science and Optoelectronic Technology, CAS Center for Excellence in Topological Quantum Computation & Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Yanqi Lake, Huairou District, Beijing 101408, People's Republic of China.
出版信息
IUCrdata. 2023 Dec 22;8(Pt 12):x231085. doi: 10.1107/S2414314623010854. eCollection 2023 Dec.
The structure of the title solvated porphyrin, CHNO·CH, is reported. Two porphyrin mol-ecules, one ordered and one disordered -hexane solvate mol-ecules are present in its asymmetric unit. The porphyrin macrocycle shows a characteristic saddle-shaped distortion, and the maximum deviation from the mean plane for non-hydrogen atoms is 0.48 Å. N-H⋯N, N-H⋯O, and C-H⋯O hydrogen bonds, as well as ππ inter-actions, are observed in the crystal structure.
报道了标题溶剂化卟啉CHNO·CH的结构。其不对称单元中存在两个卟啉分子、一个有序的和一个无序的己烷溶剂化物分子。卟啉大环呈现出特征性的鞍形畸变，非氢原子与平均平面的最大偏差为0.48 Å。在晶体结构中观察到N-H⋯N、N-H⋯O和C-H⋯O氢键以及π-π相互作用。
Zotero 插件