Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenyl-eth-yl)amino]-4-(thio-phen-2-yl)pyridine-3,5-dicarbo-nitrile.

ABSTRACT: In the title compound, C₁₉H₁₅N₅S, the thio-phene ring is disordered in a 0.6:0.4 ratio by an approximate 180° rotation of the ring around the C-C bond linking it to the pyridine ring. In the crystal, the mol-ecules are linked by N-H⋯N hydrogen bonds into dimers with an R ² ₂(12) motif, forming chains along the b-axis direction. These chains are connected to each other by further N-H⋯N hydrogen bonds, forming a three-dimensional network. Furthermore, N-H⋯π and π-π [centroid-centroid separations = 3.899 (8) and 3.7938 (12) Å] inter-actions also contribute to the crystal cohesion. A Hirshfeld surface analysis indicated that the most important contributions to the surface contacts are from H⋯H (46.1%), N⋯H/H⋯N (20.4%) and C⋯H/H⋯C (17.4%) inter-actions.

SUBMITTER: Naghiyev FN 

PROVIDER: S-EPMC10242736 | biostudies-literature | 2023 May

REPOSITORIES: biostudies-literature