Setifi Zouaoui, Setifi Fatima, Dege Necmi, Al-Douh Mohammed Hadi, Glidewell Christopher
Département de Technologie, Faculté de Technologie, Université 20 Août 1955-Skikda, BP 26, Route d'El-Hadaiek, Skikda 21000, Algeria.
Laboratoire de Chimie, Ingénierie Moléculaire et Nanostructures (LCIMN), Université Ferhat Abbas Sétif 1, Sétif 19000, Algeria.
IUCrdata. 2020 Sep 25;5(Pt 9):x201278. doi: 10.1107/S241431462001278X. eCollection 2020 Sep.
In the title compound, [Fe{(CHN)N}][C{C(CN)}], both ions lie across centres of inversion, with the anion being statistically disordered over two sets of atomic sites having equal occupancy. The cation and anion have approximate and 32 symmetry, respectively, and the Fe-N bond lengths indicate low-spin Fe. A combination of two-centre C-H⋯N and three-centre C-H⋯(N) hydrogen bonds link the ions into complex sheets. Several low-occupancy water mol-ecules are present, whose H atoms could not be located: accordingly, the reflection data were subjected to the SQUEEZE procedure [Spek (2015 ▸). C, 9-18].
在标题化合物[Fe{(CHN)N}][C{C(CN)}]中,两个离子均位于反演中心上,阴离子在两组占有率相等的原子位置上呈统计无序分布。阳离子和阴离子分别具有近似的和32对称性,且Fe-N键长表明为低自旋铁。双中心C-H⋯N和三中心C-H⋯(N)氢键的组合将离子连接成复杂的片层。存在几个占有率低的水分子,其氢原子无法定位:因此,对反射数据进行了SQUEEZE程序[Spek (2015 ▸). C, 9 - 18]。