Abstract

Variable-temperature X-ray diffraction has been used to probe structure and dynamics of two solid adducts formed by hexafluorobenzene with toluene andp-xylene.

Highlights

  • An understanding of the origins and strengths of weak van der Waals interactions in covalent solids is crucial for the prediction and preparation of bespoke, or engineered organic structures.[1,2] Of particular interest to the community of crystal engineers, is the design of organic co-crystals as alternatives to salts in the development of new materials

  • Dahl reported a structure for phase II of p-C6H4IJCH3)[2 ]: C6F6 and the results presented here, though more precise, are in complete agreement

  • The high-temperature phase of C6H5CH3 : C6F6 shows similar structure and dynamics to that observed in C6H6 : C6F6.10 Both adducts exhibit space-group symmetry R3m in their highest temperature phases, with each molecule on a site of3m symmetry

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Summary

Introduction

An understanding of the origins and strengths of weak van der Waals interactions in covalent solids is crucial for the prediction and preparation of bespoke, or engineered organic structures.[1,2] Of particular interest to the community of crystal engineers, is the design of organic co-crystals as alternatives to salts in the development of new materials. The high-temperature phase of C6H5CH3 : C6F6 shows similar structure and dynamics to that observed in C6H6 : C6F6.10 Both adducts exhibit space-group symmetry R3m in their highest temperature phases, with each molecule on a site of3m symmetry.

Results
Conclusion
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