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Crystal structure and Hirshfeld surface analysis of 3-benzyl-2-[bis(1H-pyrrol-2-yl)methyl]thiophene
(2023) Sadikhova, Nurlana D; Atioğlu, Zeliha; Guliyeva, Narmina A; Shelukho, Evgeniya R; Polyanskaya, Darya K; Khrustalev, Victor N; Akkurt, Mehmet; Bhattarai, Ajaya
In the title compound, C20H18N2S, the asymmetric unit comprises two similar molecules (A and B). In molecule A, the central thiophene 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 molecule B, the corresponding dihedral angles are 89.49?(13), 54.64?(12)°, 83.62?(14)° and 85.67?(11)°, respectively. In the crystal, molecular pairs are bonded to each other by N—H?N interactions. N—H?? and C—H?? interactions further connect the molecules, forming a three-dimensional network. A Hirshfeld surface analysis indicates that H?H (57.1% for molecule A; 57.3% for molecule B), C?H/H?C (30.7% for molecules A and B) and S?H/H?S (6.2% for molecule A; 6.4% for molecule B) interactions are the most important contributors to the crystal packing.