Bellia Sophia, Anderson Grace, Zeller Matthias, Mirjafari Arsalan, Hillesheim Patrick C
Ave Maria University, Department of Chemistry and Physics, 5050 Ave Maria Blvd, Ave Maria, Florida 34142, USA.
Department of Chemistry and Physics, Florida Gulf Coast University, 10501 FGCU Blvd. South, Fort Myers, Florida 33965, USA.
IUCrdata. 2022 Sep 8;7(Pt 9):x220878. doi: 10.1107/S2414314622008781. eCollection 2022 Sep.
The title salt, CHNO ·Cl, exhibits multiple hydrogen-bonding inter-actions involving the nitro-imidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H⋯Cl inter-actions, the central aromatic hydrogen atom displays a shorter inter-action than the other aromatic hydrogen atom. Finally, inter-actions are observed between the nitro moiety and methyl H atoms. While no π-π stacking is observed, anion-π inter-actions are present. The crystal was refined as a two-component twin.
标题盐CHNO·Cl表现出涉及硝基咪唑阳离子和氯离子的多种氢键相互作用。胺氢原子与氯离子之间的强氢键连接着离子部分。值得注意的是，就H⋯Cl相互作用而言，中心芳族氢原子的相互作用比其他芳族氢原子的相互作用短。最后，观察到硝基部分与甲基H原子之间的相互作用。虽然未观察到π-π堆积，但存在阴离子-π相互作用。该晶体被精修为双组分孪晶。
