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[(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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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 |
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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 |
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