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Crystal structure, computational study and Hirshfeld surface analysis of ethyl (2S,3R)-3-(3-amino-1H-1,2,4-triazol-1-yl)-2-hydroxy-3-phenylpropanoate

In the title molecule, C(13)H(16)N(4)O(3), the mean planes of the phenyl and triazole rings are nearly perpendicular to one another as a result of the intramolecular C—H⋯O and C—H⋯π(ring) interactions. In the crystal, layers parallel to (101) are generated by O—H⋯N, N—H⋯O and N—H⋯N hydrogen bonds...

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Detalles Bibliográficos
Autores principales:	Ben Ali, Abdelkader, El Bakri, Youness, Lai, Chin-Hung, Sebhaoui, Jihad, El Ghayati, Lhoussaine, Essassi, El Mokhtar, Mague, Joel 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/PMC6895933/ https://www.ncbi.nlm.nih.gov/pubmed/31871758 http://dx.doi.org/10.1107/S2056989019015743

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