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[(E)-But-2-enoato-?O]chlorido(2,2'-diamino-4,4'-bi-1,3-thia-zole-?N,N)zinc(II) monohydrate.

ABSTRACT: In the title compound, [Zn(C(4)H(5)O(2))Cl(C(6)H(6)N(4)S(2))]·H(2)O, the Zn(II) cation is coordinated by a bidentate diamino-bithia-zole (DABT) ligand, a but-2-enoate anion and a Cl(-) anion in a distorted tetra-hedral geometry. Within the DABT ligand, the two thia-zole rings are twisted to each other at a dihedral angle of 4.38?(10)°. An intra-molecular N-H?O inter-action occurs. The centroid-centroid distance of 3.6650?(17)?Å and partially overlapped arrangement between nearly parallel thia-zole rings of adjacent complexes indicate the existence of ?-? 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.

SUBMITTER: Du M 

PROVIDER: S-EPMC2984061 | biostudies-literature | 2010 Mar

REPOSITORIES: biostudies-literature

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[(E)-But-2-enoato-κO]chlorido(2,2'-diamino-4,4'-bi-1,3-thia-zole-κN,N)zinc(II) monohydrate.

Du Mei M   Wang Yan-Li YL   Liu Bing-Xin BX   Xu Duan-Jun DJ  

Acta crystallographica. Section E, Structure reports online 20100327 Pt 4

In the title compound, [Zn(C(4)H(5)O(2))Cl(C(6)H(6)N(4)S(2))]·H(2)O, the Zn(II) cation is coordinated by a bidentate diamino-bithia-zole (DABT) ligand, a but-2-enoate anion and a Cl(-) anion in a distorted tetra-hedral geometry. Within the DABT ligand, the two thia-zole rings are twisted to each other at a dihedral angle of 4.38 (10)°. An intra-molecular N-H⋯O inter-action occurs. The centroid-centroid distance of 3.6650 (17) Å and partially overlapped arrangement between nearly parallel thia-zo  ...[more]

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