3,3’-(4,11-Bis(4-(trifluoromethyl)benzyl)-1,4,8,11-Tetraazacyclotetradecane-1,8-diyl)dipropanenitrile

Abstract

The cyclam derivative (NCCH2CH2)2(4-CF3PhCH2)2Cyclam was prepared by the reaction of H2(4-CF3PhCH2)2Cyclam with acrylonitrile in methanol. The compound was fully characterized by elemental analysis, mass spectrometry as well as IR and NMR spectroscopy. Crystals of (NCCH2CH2)2(4-CF3PhCH2)2Cyclam suitable for single-crystal X-ray diffraction were obtained by the slow evaporation of a chloroform solution of the compound. The establishment of non-classical hydrogen bonds and unusual nitrile–nitrile and π(CN)…π interactions determined the solid-state supramolecular architecture of (NCCH2CH2)2(4-CF3PhCH2)2Cyclam.

Keywords

• cyclam
• C-H^…N
• nitrile–nitrile
• π(CN)^…π
• single-crystal X-ray diffraction