Abstract
In the title compound, [Zn(C4H5O2)Cl(C6H6N4S2)]·H2O, the ZnII cation is coordinated by a bidentate diaminobithiazole (DABT) ligand, a but-2-enoate anion and a Cl− anion in a distorted tetrahedral geometry. Within the DABT ligand, the two thiazole rings are twisted to each other at a dihedral angle of 4.38 (10)°. An intramolecular N—H⋯O interaction occurs. The centroid–centroid distance of 3.6650 (17) Å and partially overlapped arrangement between nearly parallel thiazole rings of adjacent complexes indicate the existence of π–π stacking in the crystal structure. Extensive O—H⋯Cl, O—H⋯O, N—H⋯Cl and N—H⋯O hydrogen bonding helps to stabilize the crystal structure.
Highlights
ZnII cation is coordinated by a bidentate diaminobithiazole (DABT) ligand, a but-2-enoate anion and a Cl anion in a distorted tetrahedral geometry
Symmetry codes: (i) x−1, y, z; (ii) −x+3/2, y−1/2, −z+3/2; (iii) x−1/2, −y+1/2, z−1/2
Summary
[(E)-But-2-enoato-jO]chlorido(2,2 - 0 diamino-4,40 -bi-1,3-thiazole-j2N3,N3 )zinc(II) monohydrate. R factor = 0.032; wR factor = 0.080; data-to-parameter ratio = 14.3. ZnII cation is coordinated by a bidentate diaminobithiazole (DABT) ligand, a but-2-enoate anion and a Cl anion in a distorted tetrahedral geometry. Within the DABT ligand, the two thiazole rings are twisted to each other at a dihedral angle of 4.38 (10). The centroid–centroid distance of 3.6650 (17) Å and partially overlapped arrangement between nearly parallel thiazole rings of adjacent complexes indicate the existence of – stacking in the crystal structure. H O, N—H Cl and N—H O hydrogen bonding helps to stabilize the crystal structure
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