Crystal structure and Hirshfeld surface analysis of dimethyl 4'-bromo-3-oxo-5-(thio-phen-2-yl)-3,4,5,6-tetra-hydro-[1,1'-biphen-yl]-2,4-di-carboxyl-ate

• Published in: Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2024-04, Vol.80 (Pt 5), p.446-451
• Main Authors: Naghiyev, Farid N, Khrustalev, Victor N, Akkurt, Mehmet, Asadov, Khammed A, Bhattarai, Ajaya, Khalilov, Ali N, Mamedov, İbrahim G
• Format: Article
• Language: English
• Subjects: Research Communications
• ISSN: 2056-9890; 2056-9890
• DOI: 10.1107/S2056989024002858

In the title compound, C H BrO S, mol-ecules are connected by inter-molecular C-H⋯S hydrogen bonds with (10) ring motifs, forming ribbons along the -axis direction. C-H⋯π inter-actions consolidate the ribbon structure while van der Waals forces between the ribbons ensure the cohesion of the crystal structure. According to a Hirshfeld surface analysis, H⋯H (40.5%), O⋯H/H⋯O (27.0%), C⋯H/H⋯C (13.9%) and Br⋯H/H⋯Br (11.7%) inter-actions are the most significant contributors to the crystal packing. The thio-phene ring and its adjacent di-carboxyl-ate group and the three adjacent carbon atoms of the central hexene ring to which they are attached were refined as disordered over two sets of sites having occupancies of 0.8378 (15) and 0.1622 (15). The thio-phene group is disordered by a rotation of 180° around one bond.