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Crystal structure, Hirshfeld surface analysis and DFT studies of 1-benzyl-3-[(1-benzyl-1H-1,2,3-triazol-5-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazol-2-one monohydrate
In the title molecule, C(24)H(21)N(5)O·H(2)O, the dihydrobenzodiazole moiety is not quite planar, while the whole molecule adopts a U-shaped conformation in which there is a close approach of the two benzyl groups. In the crystal, chains of alternating molecules and lattice water extending alo...
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| Publicat a: | Acta Crystallogr E Crystallogr Commun |
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| Autors principals: | , , , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
International Union of Crystallography
2020
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6944078/ https://ncbi.nlm.nih.gov/pubmed/31921460 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1107/S2056989019016876 |
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