Cargando…

[(E)-But-2-enoato-κO]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) N (3),N (3′))zinc(II) monohydrate

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 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 oth...

Descripción completa

Detalles Bibliográficos
Autores principales: Du, Mei, Wang, Yan-Li, Liu, Bing-Xin, Xu, Duan-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984061/
https://www.ncbi.nlm.nih.gov/pubmed/21580550
http://dx.doi.org/10.1107/S160053681001113X
_version_ 1782192024888279040
author Du, Mei
Wang, Yan-Li
Liu, Bing-Xin
Xu, Duan-Jun
author_facet Du, Mei
Wang, Yan-Li
Liu, Bing-Xin
Xu, Duan-Jun
author_sort Du, Mei
collection PubMed
description 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 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.
format Text
id pubmed-2984061
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29840612010-12-30 [(E)-But-2-enoato-κO]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) N (3),N (3′))zinc(II) monohydrate Du, Mei Wang, Yan-Li Liu, Bing-Xin Xu, Duan-Jun Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers 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 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. International Union of Crystallography 2010-03-27 /pmc/articles/PMC2984061/ /pubmed/21580550 http://dx.doi.org/10.1107/S160053681001113X Text en © Du et al. 2010 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Du, Mei
Wang, Yan-Li
Liu, Bing-Xin
Xu, Duan-Jun
[(E)-But-2-enoato-κO]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) N (3),N (3′))zinc(II) monohydrate
title [(E)-But-2-enoato-κO]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) N (3),N (3′))zinc(II) monohydrate
title_full [(E)-But-2-enoato-κO]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) N (3),N (3′))zinc(II) monohydrate
title_fullStr [(E)-But-2-enoato-κO]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) N (3),N (3′))zinc(II) monohydrate
title_full_unstemmed [(E)-But-2-enoato-κO]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) N (3),N (3′))zinc(II) monohydrate
title_short [(E)-But-2-enoato-κO]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) N (3),N (3′))zinc(II) monohydrate
title_sort [(e)-but-2-enoato-κo]chlorido(2,2′-diamino-4,4′-bi-1,3-thia­zole-κ(2) n (3),n (3′))zinc(ii) monohydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2984061/
https://www.ncbi.nlm.nih.gov/pubmed/21580550
http://dx.doi.org/10.1107/S160053681001113X
work_keys_str_mv AT dumei ebut2enoatokochlorido22diamino44bi13thiazolek2n3n3zinciimonohydrate
AT wangyanli ebut2enoatokochlorido22diamino44bi13thiazolek2n3n3zinciimonohydrate
AT liubingxin ebut2enoatokochlorido22diamino44bi13thiazolek2n3n3zinciimonohydrate
AT xuduanjun ebut2enoatokochlorido22diamino44bi13thiazolek2n3n3zinciimonohydrate