Crystal structure and Hirshfeld surface analysis of 5-acetyl-2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile

Abstract

The crystal structure of the title compound, C20H16BrN3O2, was determined using an inversion twin. Its asymmetric unit comprises two crystallographically independent molecules (A and B) being the stereoisomers. Both molecules are linked by pairs of N—H...O hydrogen bonds, forming a dimer with an R 2 2(16) ring motif. The dimers are connected by further N—H...O and N—H...N hydrogen bonds, forming chains along the c-axis direction·C—Br...π interactions between these chains contribute to the stabilization of the molecular packing. Hirshfeld surface analysis showed that the most important contributions to the crystal packing are from H...H, C...H/H...C, O...H/H...O, Br...H/H...Br and N...H/H...N interactions.

Crystal structure and Hirshfeld surface analysis of 3-benzoyl-6-(1,3-dioxo-1-phenylbutan-2-yl)-2-hydroxy-2-methyl-4-phenylcyclohexane-1,1-dicarbonitrile

“…Interestingly, we discovered that in case of the reaction of one equivalent of phenyl-allylidene-malononitrile with two equivalents of benzoylacetone at room temperature, a substituted cyclohexane derivative was the product. In the context of ongoing structural studies (Safavora et al, 2019;Aliyeva et al, 2011;Mamedov et al, 2022), we report here the crystal structure and Hirshfeld surface analysis of the title compound, 3-benzoyl-6-(1,3-dioxo-1-phenylbutan-2-yl)-2-hydroxy-2-methyl-4-phenylcyclohexane-1,1-dicarbonitrile.…”

Crystal structure and Hirshfeld surface analysis of methyl 4′-amino-3′,5′-dicyano-2,2′′-dioxodispiro[indoline-3,1′-cyclopentane-2′,3′′-indolin]-3′-ene-5′-carboximidate with an unknown solvent

“…Thus, in the framework of ongoing structural studies (Safavora et al, 2019;Aliyeva et al, 2011;Mamedov et al, 2022), we report the crystal structure and Hirshfeld surface analysis of the title compound, methyl 4 0 -amino-3 0 ,5 0 -dicyano-Figure 1 The formation of 3.…”

Crystal structure and Hirshfeld surface analysis of 1-(tert-butylamino)-3-mesitylpropan-2-ol hemihydrate

“…In this study, in the framework of ongoing structural studies (Safavora et al, 2019;Aliyeva et al, 2011;Mamedov et al, 2022), we report the crystal structure and Hirshfeld surface analysis of the title compound, 1-(tert-butylamino)-3-mesitylpropan-2-ol hemihydrate.…”