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

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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.79, pp.526-530, 2023 (ESCI)

• Publication Type: Article / Article
• Volume: 79
• Publication Date: 2023
• Doi Number: 10.1107/s2056989023003845
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.526-530
• Azerbaijan State University of Economics (UNEC) Affiliated: No

Abstract

In the title compound, C19H15N5S, the thiophene ring is disordered in a 0.6:0.4 ratio by an approximate 180 degrees 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 center dot center dot center dot 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 center dot center dot center dot N hydrogen bonds, forming a three-dimensional network. Furthermore, N-H center dot center dot center dot pi and pi-pi [centroid-centroid separations = 3.899 (8) and 3.7938 (12) angstrom] interactions also contribute to the crystal cohesion. A Hirshfeld surface analysis indicated that the most important contributions to the surface contacts are from H center dot center dot center dot H (46.1%), N center dot center dot center dot H/H center dot center dot center dot N (20.4%) and C center dot center dot center dot H/H center dot center dot center dot C (17.4%) interactions.