Crystal structure, Hirshfeld surface analysis and inter­action energy and DFT studies of 1-methyl-3-(prop-2-yn-1-yl)-2,3-di­hydro-1H-1,3-benzo­diazol-2-one

In the title mol­ecule, C(11)H(10)N(2)O, the di­hydro­benzimidazol-2-one moiety is essentially planar, with the prop-2-yn-1-yl substituent rotated well out of this plane. In the crystal, C—H(Mthy)⋯π(ring) inter­actions and C—H(Prop)⋯O(Dhyr) (Mthy = methyl, Prop = prop-2-yn-1-yl and Dhyr = di­hydro)...

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Detalles Bibliográficos
Autores principales: Saber, Asmaa, Srhir, Mohamed, Hökelek, Tuncer, Mague, Joel T., Hamou Ahabchane, Noureddine, Sebbar, Nada Kheira, Essassi, El Mokhtar
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/PMC6895944/
https://www.ncbi.nlm.nih.gov/pubmed/31871762
http://dx.doi.org/10.1107/S2056989019015779

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895944/
https://www.ncbi.nlm.nih.gov/pubmed/31871762
http://dx.doi.org/10.1107/S2056989019015779

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