Crystal structure, Hirshfeld surface analysis, crystal voids, interaction energy calculations and energy frameworks and DFT calculations of ethyl 2-cyano-3-(3-hydroxy-5-methyl-1H-pyrazol-4-yl)-3-phenylpropanoate

The title compound, C16H17N3O3, is racemic as it crystallizes in a centrosymmetric space group (P\overline{1}), although the trans disposition of substituents about the central C—C bond is established. The five- and six-membered rings are oriented at a dihedral angle of 75.88 (8)°. In the crystal, N...

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Bibliografische gegevens

Hoofdauteurs:	Younesse Ait Elmachkouri, Ezaddine Irrou, Hanae El Monfalouti, Ahmed Mazzah, Tuncer Hökelek, Joel T. Mague, Mohamed Labd Taha, Nada Kheira Sebbar
Formaat:	Artigo
Taal:	Inglês
Gepubliceerd in:	International Union of Crystallography 2024-02-01
Reeks:	Acta Crystallographica Section E: Crystallographic Communications
Onderwerpen:	crystal structure pyrazole c—h...π(ring) interaction hydrogen bond
Online toegang:	http://scripts.iucr.org/cgi-bin/paper?S2056989024000744
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