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Aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) chloride hydrate

A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine (L1) is reported. The single-crystal X-ray structure of aqua­[aqua/chlorido­(0.49/0.51)](2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­coppe...

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Autores principales: Moyaert, Tristen E., Paul, Christina, Chen, Weibin, Sarjeant, Amy A., Dawe, Louise N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730312/
https://www.ncbi.nlm.nih.gov/pubmed/29250375
http://dx.doi.org/10.1107/S205698901701338X
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author Moyaert, Tristen E.
Paul, Christina
Chen, Weibin
Sarjeant, Amy A.
Dawe, Louise N.
author_facet Moyaert, Tristen E.
Paul, Christina
Chen, Weibin
Sarjeant, Amy A.
Dawe, Louise N.
author_sort Moyaert, Tristen E.
collection PubMed
description A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine (L1) is reported. The single-crystal X-ray structure of aqua­[aqua/chlorido­(0.49/0.51)](2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) 0.49-chloride 1.51-hydrate, [CuCl(1.51)(C(10)H(13)N(7)S)(H(2)O)(1.49)]Cl(0.49)·1.51H(2)O or [(L1)Cl(1.51)(H(2)O)(1.49)Cu]0.49Cl·1.51H(2)O, exhibits distorted square-pyramidal geometry around the metal centre, with disorder in the axial position, occupied by chloride or water. The six-membered metal–chelate ring is in a boat conformation, and short inter­molecular S⋯S inter­actions are observed. In addition to its capacity for bidentate metal coordination, the ligand has the ability to engage in further supra­molecular inter­actions as both a hydrogen-bond donor and acceptor, and multiple inter­actions with lattice solvent water mol­ecules are present in the reported structure.
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spelling pubmed-57303122017-12-15 Aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) chloride hydrate Moyaert, Tristen E. Paul, Christina Chen, Weibin Sarjeant, Amy A. Dawe, Louise N. Acta Crystallogr E Crystallogr Commun Research Communications A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine (L1) is reported. The single-crystal X-ray structure of aqua­[aqua/chlorido­(0.49/0.51)](2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) 0.49-chloride 1.51-hydrate, [CuCl(1.51)(C(10)H(13)N(7)S)(H(2)O)(1.49)]Cl(0.49)·1.51H(2)O or [(L1)Cl(1.51)(H(2)O)(1.49)Cu]0.49Cl·1.51H(2)O, exhibits distorted square-pyramidal geometry around the metal centre, with disorder in the axial position, occupied by chloride or water. The six-membered metal–chelate ring is in a boat conformation, and short inter­molecular S⋯S inter­actions are observed. In addition to its capacity for bidentate metal coordination, the ligand has the ability to engage in further supra­molecular inter­actions as both a hydrogen-bond donor and acceptor, and multiple inter­actions with lattice solvent water mol­ecules are present in the reported structure. International Union of Crystallography 2017-09-25 /pmc/articles/PMC5730312/ /pubmed/29250375 http://dx.doi.org/10.1107/S205698901701338X Text en © Moyaert et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Moyaert, Tristen E.
Paul, Christina
Chen, Weibin
Sarjeant, Amy A.
Dawe, Louise N.
Aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) chloride hydrate
title Aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) chloride hydrate
title_full Aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) chloride hydrate
title_fullStr Aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) chloride hydrate
title_full_unstemmed Aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) chloride hydrate
title_short Aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(II) chloride hydrate
title_sort aqua­chlorido­(2-{[6-(di­methyl­amino)­pyrimidin-4-yl]sulfan­yl}pyrimidine-4,6-di­amine)­copper(ii) chloride hydrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730312/
https://www.ncbi.nlm.nih.gov/pubmed/29250375
http://dx.doi.org/10.1107/S205698901701338X
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