Crystal structure and Hirshfeld surface analysis of 2-amino-6-[(1-phenylethyl)amino]-4-(thiophen-2-yl)pyridine-3,5-dicarbonitrile


Naghiyev F. N., Khrustalev V. N., Asadov K. A., AKKURT M., Khalilov A. N., Bhattarai A., ...Daha Fazla

Acta Crystallographica Section E: Crystallographic Communications, cilt.79, ss.526-530, 2023 (ESCI) identifier identifier identifier

Özet

In the title compound, C19H15N5S, the thiophene 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 molecules are linked by N - H⋯N hydrogen bonds into dimers with an R 22(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 14;(8) and 3.7938 14;(12) 14;Å] interactions 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%) interactions.