Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-<i>a</i>]-pyridine-6,6,8-tricarbonitrile methanol monosolvate

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Naghiyev F. N., Mammadova G. Z., Khalilov A. N., Atioglu Z., AKKURT M., Akobirshoeva A. A., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.588-591, 2021 (ESCI)

• Publication Type: Article / Article
• Volume: 77
• Publication Date: 2021
• Doi Number: 10.1107/s2056989021004655
• Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.588-591
• Azerbaijan State University of Economics (UNEC) Affiliated: No

Abstract

In the title compound, C22H17N5 center dot CH4O, the imidazolidine ring of the 1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine ring system is a twisted envelope, while the 1,2,3,4-tetrahydropyridine ring adopts a twisted boat conformation. In the crystal, pairs of molecules are linked by O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds via two methanol molecules, forming a centrosymmetric R-4(4)(16) ring motif. These motifs are connected to each other by C-H center dot center dot center dot N hydrogen bonds and form columns along the a axis. The columns form a stable molecular packing, being connected to each other by van der Waals interactions. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H center dot center dot center dot H (43.8%), N center dot center dot center dot H/H center dot center dot center dot N (31.7%) and C center dot center dot center dot H/H center dot center dot center dot C (18.4%) contacts.