Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene.

Abstract

In the title compound, C20H18N2S, the asymmetric unit comprises two similar mol-ecules (A and B). In mol-ecule A, the central thio-phene ring makes dihedral angles of 89.96 (12) and 57.39 (13)° with the 1H-pyrrole rings, which are bent at 83.22 (14)° relative to each other, and makes an angle of 85.98 (11)° with the phenyl ring. In mol-ecule B, the corresponding dihedral angles are 89.49 (13), 54.64 (12)°, 83.62 (14)° and 85.67 (11)°, respectively. In the crystal, mol-ecular pairs are bonded to each other by N-H⋯N inter-actions. N-H⋯π and C-H⋯π inter-actions further connect the mol-ecules, forming a three-dimensional network. A Hirshfeld surface analysis indicates that H⋯H (57.1% for mol-ecule A; 57.3% for mol-ecule B), C⋯H/H⋯C (30.7% for mol-ecules A and B) and S⋯H/H⋯S (6.2% for mol-ecule A; 6.4% for mol-ecule B) inter-actions are the most important contributors to the crystal packing.