Structural elucidation and Hirshfeld surface analysis of a fused thiophene ester: methyl 3-[(naphtho[2,1- b ]thiophen-5-yl)methyl]-1-benzothiophene-2-carboxylate
Abstract
The title compound, C 23 H 16 O 2 S 2 , is a benzo[ b ]thiophene-2-carboxylate derivative and consists of naphthothiophene and benzothiophene moieties bridged by a methylene group. The dihedral angle between the two aromatic ring systems is 88.5 (2)°. Intramolecular C—H...O interactions generate an S (6) ring motif. The acetate group assumes an extended conformation. Weak C—H...π and π–π stacking interactions are present in the crystal structure, together with a short S...S interaction of 3.77 (8) Å. A Hirshfeld surface analysis indicates that H...H interactions contribute the most to the crystal packing (34.9%).Please give email addresses for all authors
Fields of Study & Subjects
Crystal structures of chemical compounds
Crystallography and molecular interactions
Crystal Structures and Properties
Publication details
- Journal / source
- Acta Crystallographica Section E Crystallographic Communications
- Volume
- 82
- Issue
- 4
- Pages
- 336–340
- Publication date
- 3 March 2026
- Language
- EN