Crystal structures, phase transitions, and nuclear magnetic resonance of organic-inorganic hybrid [NH(CH)]ZnBr crystals.

Organic-inorganic hybrid [NH(CH)]ZnBr crystals were grown slow evaporation, and their monoclinic structure was determined using single-crystal X-ray diffraction (XRD). The two phase transition temperatures at 401 K ( ) and 436 K ( ) were defined using differential scanning calorimetry and powder XRD. In the nuclear magnetic resonance spectra, a small change was observed in the H chemical shifts for NH, C chemical shifts for CH, and N resonance frequency for NH near . H spin-lattice relaxation times and C for NH and CH, respectively, rapidly decreased near , suggesting that energy was easily transferred. NH in the [NH(CH)] cation was significantly influenced by the surrounding environments of H and N, indicating a change in the N-H⋯Br hydrogen bond with the coordination geometry of the ZnBr anion. These fundamental properties open efficient avenues for the development of organic-inorganic hybrids, thus qualifying them for practical applications.