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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.

Farid N NaghiyevVictor N KhrustalevKhammed A AsadovMehmet AkkurtAli N KhalilovAjaya Bhattaraiİbrahim G Mamedov
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
In the title compound, C 19 H 15 N 5 S, 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.
Keyphrases
  • crystal structure
  • mass spectrometry