Crystal structure and Hirshfeld surface analysis of dimethyl 4′-bromo-3-oxo-5-(thiophen-2-yl)-3,4,5,6-tetrahydro-[1,1′-biphenyl]-2,4-dicarboxylate

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Atıf İçin Kopyala

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

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, cilt.80, ss.446-451, 2024 (ESCI)

• Yayın Türü: Makale / Tam Makale
• Cilt numarası: 80
• Basım Tarihi: 2024
• Doi Numarası: 10.1107/s2056989024002858
• Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
• Derginin Tarandığı İndeksler: Emerging Sources Citation Index (ESCI), Scopus
• Sayfa Sayıları: ss.446-451
• Erciyes Üniversitesi Adresli: Evet

Özet

In the title compound, C20H17BrO5S, molecules are connected by intermolecular C-H center dot center dot center dot S hydrogen bonds with R-2(2)(10) ring motifs, forming ribbons along the b-axis direction. C-H center dot center dot center dot pi interactions 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 center dot center dot center dot H (40.5%), O center dot center dot center dot H/H center dot center dot center dot O (27.0%), C center dot center dot center dot H/H center dot center dot center dot C (13.9%) and Br center dot center dot center dot H/H center dot center dot center dot Br (11.7%) interactions are the most significant contributors to the crystal packing. The thiophene ring and its adjacent dicarboxylate 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 thiophene group is disordered by a rotation of 180 degrees around one bond.