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• W2070525986 abstract "The molecular structure, packing properties, and intermolecular interactions of a series of pyrrole derivatives have been determined by single-crystal X-ray diffraction. They were efficiently synthesized from mesoionic oxazoles and selected chromenones via initial 1,3-dipolar cycloaddition followed by cascade transformations. Compounds 4–6 are described as three fused rings associated in the crystal lattice through H-bonding interactions. Besides the H-bonding interactions encountered in the crystal packing of 4–8, a different strong centrosymmetric π-interaction has been found in 8, involving the cyano group and the π-system of aromatic pyrrole ring. A density functional theory (DFT) study was carried out on the supramolecular dimer in order to understand the nature and role of this intermolecular force in driving the molecular packing." @default.
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• W2070525986 date "2011-03-01" @default.
• W2070525986 modified "2023-10-17" @default.
• W2070525986 title "X-ray crystallography and computational studies of a variety of pyrrole derivatives obtained from mesoionic oxazoles and selected chromenones" @default.
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• W2070525986 doi "https://doi.org/10.1016/j.molstruc.2011.01.031" @default.
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