Figure 3
Hydrogen-bonded dimers [R22(8) motif] observed in the crystal structure of (a) regioisomer (2), where the upper molecule is at (x, y, z) and the lower molecule is at (−x, −y + 2, −z + 1), and (b) regioisomer (3), with the molecule on the right at (x, y, z) and that on the left at (−x, −y + 1, −z + 1). Only the main disorder conformation (occupancy 0.65) is presented for regioisomer (2). For regioisomer (3), an extra C—H⋯S interaction is observed, which adds a further R22(7) ring at each side of the N—H⋯S hydrogen bond. |