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Crystals 2017, 7(9), 276; doi:10.3390/cryst7090276

Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6

College of Chemical Engineering, Xinjiang Agricultural University, Urumqi 830052, China
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Academic Editor: Alberto Girlando
Received: 3 August 2017 / Revised: 29 August 2017 / Accepted: 7 September 2017 / Published: 12 September 2017
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Abstract

A novel inorganic-organic hybrid supramolecular macrocyclic compound, (4-nitroanilinium)(18-crown-6)(PF6)(1), was synthesized and characterized by infrared spectroscopy, thermogravimetric analysis, elemental analysis, differential scanning calorimetry (DSC), and single-crystal X-ray diffraction. Crystal 1 is found to comprise 1D C–H···F–P hydrogen-bonded chains of (4-nitroanilinium+)(18-crown-6) supramolecular cations and PF6 anions. DSC measurements confirm that 1 undergoes a reversible phase transition at 255 K with a hysteresis width of 6 K. A strong dielectric response is observed above 250 K at a low frequency (500 Hz), suggesting the occurrence of proton transfer in the C–H···F–P hydrogen bonds. A precise analysis on the main packing and structural differences, as well as the changes in the intermolecular interaction between the low- and high-temperature phases, reveals that C–H···F–P hydrogen bonds are the main factors affecting phase transition and dielectric behavior. View Full-Text
Keywords: crystal structure; phase transition; dielectric response; crown ether; C–H···F–P hydrogen bonds crystal structure; phase transition; dielectric response; crown ether; C–H···F–P hydrogen bonds
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Zhu, C.-L.; Liu, Y.; Wang, K.; Chen, Y.; Liu, Z.-Q. Crystal Structure and Phase Transition of the C–H···F–H-Bonded Supramolecular Compound with 4-Nitroanilinium Based on 18-Crown-6. Crystals 2017, 7, 276.

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