Crystal structure and Hirshfeld surface analysis of dimethyl 2-oxo-4-(pyridin-2-yl)-6-(thiophen-2-yl)cyclohex-3-ene-1,3-dicarboxylate

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Naghiyev F. N., Khrustalev V. N., AKKURT M., Huseynov E. Z., Bhattarai A., Khalilov A. N., ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.80, no.Pt 6, pp.654-658, 2024 (ESCI)

• Publication Type: Article / Article
• Volume: 80 Issue: Pt 6
• Publication Date: 2024
• Doi Number: 10.1107/s2056989024004687
• Journal Name: Acta Crystallographica Section E: Crystallographic Communications
• Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
• Page Numbers: pp.654-658
• Keywords: crystal structure, thiophene ring, pyridine ring, cyclohexene ring, Hirshfeld surface analysis
• Erciyes University Affiliated: Yes

Abstract

In the title compound, C19H17NO5S, the cyclohexene ring adopts nearly an envelope conformation. In the crystal, molecules are linked by C - H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C - H⋯π interactions connect the molecules by forming layers parallel to the (010) plane. According to the Hirshfeld surface analysis, H⋯H (36.9%), O⋯H/H⋯O (31.0%), C⋯H/H⋯C (18.9%) and S⋯H/H⋯S (7.9%) interactions are the most significant contributors to the crystal packing.