Akademik Məlumat İdarəetmə Sistemi
Acta Crystallographica Section E: Crystallographic Communications, vol.74, pp.1290-1294, 2018 (Scopus)
In the cation of the title salt, C15 H15 N4 S + ·Br-·H 2 O, the central thiazolidine ring adopts an envelope conformation with puckering parameters Q(2) = 0.279 (4) Å and φ(2) = 222.5 (9)°. The mean plane of the thiazolidine ring makes dihedral angles of 12.4 (2) and 66.8 (3)° with the pyridine and phenyl rings, respectively. The pyridine ring in the title molecule is essentially planar (r.m.s deviation = 0.005 Å). In the crystal, the cations, anions and water molecules are linked into a three-dimensional network, which forms cross layers parallel to the (120) and (20) planes via O-H..Br, N-H..Br and N-H..N hydrogen bonds. C-H..π interactions also help in the stabilization of the molecular packing. Hirshfeld surface analysis and 2D (two-dimensional) fingerprint plots indicate that the most important contributions to the crystal packing are from H..H (35.5%), C..H/H..C (23.9%), Br..H/H..Br (16.4%), N..H/H..N (10.6%) and S..H/H..S (7.9%) interactions.