Crystal structure and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4- tetrahydroquinolin-4-yl]pyrrolidin-2-one

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Pronina A. A., Kutasevich A. G., Grigoriev M. S., Hasanov K. I., Sadikhova N. D., Javadzade T. A., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.80, no.Pt 9, pp.967-972, 2024 (ESCI)

• Publication Type: Article / Article
• Volume: 80 Issue: Pt 9
• Publication Date: 2024
• Doi Number: 10.1107/s2056989024008144
• Journal Name: Acta Crystallographica Section E: Crystallographic Communications
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.967-972
• Keywords: crystal structure, hydrogen bonds, the Povarov method, tetrahydroquinoline, Hirshfeld surface analysis
• Erciyes University Affiliated: Yes

Abstract

This study presents the synthesis, characterization and Hirshfeld surface analysis of 1-[6-bromo-2-(3-bromophenyl)-1,2,3,4-tetrahydroquinolin-4-yl]pyrrolidin-2- one, C19H18Br2N2O. In the title compound, the pyrrolidine ring adopts a distorted envelope configuration. In the crystal, molecules are linked by intermolecular N-H O, C-H O and C-H Br hydrogen bonds, forming a three-dimensional network. In addition, pairs of molecules along the c axis are connected by C-H π interactions. According to a Hirshfeld surface study, H H (36.9%), Br H/ Br (28.2%) and C H/H C (24.3%) interactions are the most significant contributors to the crystal packing.