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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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| Publicado no: | Acta Crystallogr E Crystallogr Commun |
|---|---|
| Main Authors: | , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
International Union of Crystallography
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6895944/ https://ncbi.nlm.nih.gov/pubmed/31871762 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2056989019015779 |
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