Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1783286341657690112 |
---|---|
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. |
format | Online Article Text |
id | pubmed-5730312 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT moyaerttristene aquachlorido26dimethylaminopyrimidin4ylsulfanylpyrimidine46diaminecopperiichloridehydrate AT paulchristina aquachlorido26dimethylaminopyrimidin4ylsulfanylpyrimidine46diaminecopperiichloridehydrate AT chenweibin aquachlorido26dimethylaminopyrimidin4ylsulfanylpyrimidine46diaminecopperiichloridehydrate AT sarjeantamya aquachlorido26dimethylaminopyrimidin4ylsulfanylpyrimidine46diaminecopperiichloridehydrate AT dawelouisen aquachlorido26dimethylaminopyrimidin4ylsulfanylpyrimidine46diaminecopperiichloridehydrate |