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2-Methyl-4-(4-nitrophenyl)but-3-yn-2-ol: crystal structure, Hirshfeld surface analysis and computational chemistry study

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In the title molecule, di-methylhydroxy and 4-nitrobenzene groups cap a central di-substituted acetylene residue. The extended structure features flattened, hexameric clusters sustained by hydroxy-O—H⋯O(hydroxy) hydrogen bonds. Click to show full abstract

In the title molecule, di-methylhydroxy and 4-nitrobenzene groups cap a central di-substituted acetylene residue. The extended structure features flattened, hexameric clusters sustained by hydroxy-O—H⋯O(hydroxy) hydrogen bonds.

Keywords: structure hirshfeld; methyl nitrophenyl; structure; crystal structure; nitrophenyl crystal; chemistry

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2019

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