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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Detalhes bibliográficos
Publicado no:Acta Crystallogr E Crystallogr Commun
Main Authors: Saber, Asmaa, Sebbar, Nada Kheira, Hökelek, Tuncer, Labd Taha, Mohamed, Mague, Joel T., Hamou Ahabchane, Noureddine, Essassi, El Mokhtar
Formato: Artigo
Idioma:Inglês
Publicado em: International Union of Crystallography 2020
Assuntos:
Research Communications
Acesso em linha: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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