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Crystal structures and Hirshfeld surface analyses of 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate and 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile

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In 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate, pairs of molecules of are joined by pairs of N—H⋯N hydrogen bonds, producing a dimer with an (12) ring pattern. Further N—H⋯Br and O—H⋯O hydrogen bonds, as… Click to show full abstract

In 2-amino-4-(4-bromophenyl)-6-oxo-1-phenyl-1,4,5,6-tetrahydropyridine-3-carbonitrile hemihydrate, pairs of molecules of are joined by pairs of N—H⋯N hydrogen bonds, producing a dimer with an (12) ring pattern. Further N—H⋯Br and O—H⋯O hydrogen bonds, as well as C—Br⋯π interactions, link the dimers, producing layers parallel to the (010) plane. In the crystal of 1,6-diamino-2-oxo-4-phenyl-1,2-dihydropyridine-3,5-dicarbonitrile, molecules are joined into layers parallel to (001) via intermolecular N—H⋯N and N—H⋯O hydrogen bonds. These layers are joined along the c axis by weak C—H⋯N contacts. Additionally, C—H⋯π and C—N⋯π interactions link nearby molecules, producing chains along the a axis.

Keywords: amino bromophenyl; tetrahydropyridine carbonitrile; phenyl tetrahydropyridine; bromophenyl oxo; carbonitrile hemihydrate; oxo phenyl

Journal Title: Acta Crystallographica Section E: Crystallographic Communications
Year Published: 2022

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