Bahojb Noruzi Ehsan, Safari Nasser, Amani Vahid, Notash Behrouz
Department of Chemistry, Shahid Beheshti University, G. C., Evin, Tehran 1983963113, Iran.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m905. doi: 10.1107/S1600536812025111. Epub 2012 Jun 13.
In the title compound, (C₁₄H₁₃N₂)[FeCl₄]·CH₃OH, the 2,9-dimethyl-1,10-phenanthrolin-1-ium cation, FeCl₄ ⁻ anion and methanol solvent mol-ecule lie on a twofold rotation axis. Due to symmetry, the H atom on the N atom of the cation is half-occupied. In the anion, the Fe(III) atom has a tetra-hedral geometry. H atoms of the methanol mol-ecule are disordered over two sets of sites around the twofold axis. In the crystal, π-π contacts between the pyridine rings and between the pyridine and benzene rings [centroid-centroid distances = 3.6535 (16) and 3.5522 (17) Å] and inter-molecular O-H⋯N and N-H⋯O hydrogen bonds stabilize the structure.
在标题化合物(C₁₄H₁₃N₂)[FeCl₄]·CH₃OH中,2,9 - 二甲基 - 1,10 - 菲啰啉 - 1 - 鎓阳离子、FeCl₄⁻阴离子和甲醇溶剂分子位于一个二重旋转轴上。由于对称性,阳离子N原子上的H原子呈半占据状态。在阴离子中,Fe(III)原子具有四面体几何构型。甲醇分子的H原子在二重轴周围的两组位置上无序分布。在晶体中,吡啶环之间以及吡啶环与苯环之间的π - π接触[质心 - 质心距离 = 3.6535 (16) 和3.5522 (17) Å]以及分子间的O - H⋯N和N - H⋯O氢键使结构得以稳定。