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Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides

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We report the X-ray solid state structures of two tertiary squaramides, i.e. 3-(diethylamino)-4-ethoxy-cyclobutene-1,2-dione (1) and bis-3,4-(diethylamino)-cyclobutene-1,2-dione (2). Compound 1 forms electrostatically compressed dimers in the solid state. Moreover, compound 2 exhibits a remarkable solid state architecture resembling a lipid bilayer. This supramolecular assembly has been analyzed using high level DFT calculations and Bader's theory of "atoms-in-molecules". The antiparallel CO⋯CO interactions of the cyclobutenedione rings and hydrophobic interactions involving the ethyl chains are crucial for the formation of the bilayer assembly in the solid state

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cc-by (c) Prohens López, Rafael et al., 2016

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Articles publicats en revistes (Mineralogia, Petrologia i Geologia Aplicada)

# metadata.dc.title[].value
Experimental and theoretical study of weak intermolecular interactions in crystalline tertiary squaramides