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

The di-substituted acetylene residue in the title compound, C(11)H(11)NO(3), is capped at either end by di-methylhydroxy and 4-nitrobenzene groups; the nitro substituent is close to co-planar with the ring to which it is attached [dihedral angle = 9.4 (3)°]. The most prominent feature of the mol...

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Detalles Bibliográficos
Autores principales:	Caracelli, Ignez, Zukerman-Schpector, Julio, Schwab, Ricardo S., da Silva, Everton M., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	International Union of Crystallography 2019
Materias:	Research Communications
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690440/ https://www.ncbi.nlm.nih.gov/pubmed/31417798 http://dx.doi.org/10.1107/S2056989019010284

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