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

Internet

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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