Abstract
A nitromethane solvate of 18-crown-6 was investigated by means of variable-temperature single-crystal X-ray diffraction in response to a report of abnormal unit cell contraction. Exceptionally large positive thermal expansion in two axial directions and negative thermal expansion along the third was confirmed. The underlying mechanism relies exclusively on weak electrostatic interactions to yield a linear thermal expansion coefficient of -129 × 10(-6) K(-1), the largest negative value yet observed for an organic inclusion compound.
Highlights
A nitromethane solvate of 18-crown-6 was investigated by means of variable-temperature single-crystal X-ray diffraction in response to a report of abnormal unit cell contraction
A computational tool developed by van de Streek and Motherwell was used to search the Cambridge Structural Database for previously unidentified polymorphs
The two structures reported by Rogers were those identified in the van de Streek and Motherwell polymorph search
Summary
A nitromethane solvate of 18-crown-6 was investigated by means of variable-temperature single-crystal X-ray diffraction in response to a report of abnormal unit cell contraction. The underlying mechanism relies exclusively on weak electrostatic interactions to yield a linear thermal expansion coefficient of À129 Â 10À6 KÀ1, the largest negative value yet observed for an organic inclusion compound.
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