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, C13H16N4O3, 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....
Main Authors: | Abdelkader Ben Ali, Youness El Bakri, Chin-Hung Lai, Jihad Sebhaoui, Lhoussaine El Ghayati, El Mokhtar Essassi, Joel T. Mague |
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Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2019-12-01
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Series: | Acta Crystallographica Section E: Crystallographic Communications |
Subjects: | |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989019015743 |
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