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水合氯化-（2-{[6-（二甲基氨基）-嘧啶-4-基]硫烷基}嘧啶-4,6-二胺）-铜（II）氯化物水合物

Aqua-chlorido-(2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine)-copper(II) chloride hydrate.

作者信息

Moyaert Tristen E, Paul Christina, Chen Weibin, Sarjeant Amy A, Dawe Louise N

机构信息

Department of Chemistry and Biochemistry, Faculty of Science, Wilfrid Laurier University, 75 University Ave. W., Waterloo, ON, N2L 3C5, Canada.

Cambridge Crystallographic Data Centre, Center for Integrative Proteomics Research, 174 Frelinghuysen Road, Piscataway, NJ 08854 USA.

出版信息

Acta Crystallogr E Crystallogr Commun. 2017 Sep 25;73(Pt 10):1534-1538. doi: 10.1107/S205698901701338X. eCollection 2017 Oct 1.

DOI:10.1107/S205698901701338X
PMID:29250375
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC5730312/
Abstract

A copper(II) complex of the non-symmetric bidentate ligand 2-{[6-(di-methyl-amino)-pyrimidin-4-yl]sulfan-yl}pyrimidine-4,6-di-amine (1) is reported. The single-crystal X-ray structure of aqua-aqua/chlorido-(0.49/0.51)-copper(II) 0.49-chloride 1.51-hydrate, [CuCl(CHNS)(HO)]Cl·1.51HO or [(1)Cl(HO)Cu]0.49Cl·1.51HO, 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 inter-molecular S⋯S inter-actions are observed. In addition to its capacity for bidentate metal coordination, the ligand has the ability to engage in further supra-molecular inter-actions as both a hydrogen-bond donor and acceptor, and multiple inter-actions with lattice solvent water mol-ecules are present in the reported structure.

摘要

报道了一种非对称双齿配体2-{[6-(二甲基氨基)-嘧啶-4-基]硫烷基}嘧啶-4,6-二胺（1）的铜（II）配合物。水合-水合/氯代（0.49/0.51）-铜（II）0.49-氯化物1.51-水合物，[CuCl(CHNS)(H₂O)]Cl·1.51H₂O或[(1)Cl(H₂O)Cu]0.49Cl·1.51H₂O的单晶X射线结构显示，金属中心周围呈现扭曲的四方锥几何构型，轴向位置存在无序，由氯离子或水分子占据。六元金属螯合环呈船式构象，并且观察到短的分子间S⋯S相互作用。除了具有双齿金属配位能力外，该配体还能够作为氢键供体和受体参与进一步的超分子相互作用，并且在所报道的结构中存在与晶格溶剂水分子的多种相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38a0/5730312/2b7a35ea723f/e-73-01534-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38a0/5730312/b7fb63c22eac/e-73-01534-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38a0/5730312/46b49b1e8387/e-73-01534-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38a0/5730312/2b7a35ea723f/e-73-01534-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38a0/5730312/b7fb63c22eac/e-73-01534-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38a0/5730312/46b49b1e8387/e-73-01534-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/38a0/5730312/2b7a35ea723f/e-73-01534-fig3.jpg

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本文引用的文献

1
The Cambridge Structural Database.剑桥结构数据库。
Acta Crystallogr B Struct Sci Cryst Eng Mater. 2016 Apr;72(Pt 2):171-9. doi: 10.1107/S2052520616003954. Epub 2016 Apr 1.
2
Non-symmetric pincer ligands: complexes and applications in catalysis.非对称钳形配体：配合物及其在催化中的应用
Dalton Trans. 2015 Oct 28;44(40):17432-47. doi: 10.1039/c5dt02295a. Epub 2015 Sep 23.
3
[Cu30I16(mtpmt)12(μ(10-S4))]: an unusual 30-membered copper(I) cluster derived from the C-S bond cleavage and its use in heterogeneous catalysis.
[Cu30I16(mtpmt)12(μ(10-S4))]：一种源自 C-S 键断裂的不寻常的 30 个铜（I）原子簇及其在多相催化中的应用。
Chem Commun (Camb). 2013 May 14;49(39):4259-61. doi: 10.1039/c2cc36736j. Epub 2012 Oct 29.
4
A new platinum complex of triazine demonstrates G1 arrest with novel biological profile in human breast cancer cell line, MDA-MB-468.一种新的三嗪铂配合物在人乳腺癌细胞系MDA-MB-468中表现出具有新型生物学特性的G1期阻滞。
Bioorg Med Chem Lett. 2007 Apr 15;17(8):2139-45. doi: 10.1016/j.bmcl.2007.01.116. Epub 2007 Feb 8.
5
Design of chiral ligands for asymmetric catalysis: from C2-symmetric P,P- and N,N-ligands to sterically and electronically nonsymmetrical P,N-ligands.用于不对称催化的手性配体设计：从C2对称的P,P-和N,N-配体到空间和电子不对称的P,N-配体。
Proc Natl Acad Sci U S A. 2004 Apr 20;101(16):5723-6. doi: 10.1073/pnas.0307152101. Epub 2004 Apr 6.
6
Synthesis of 3-aminopyrazinone mediated by 2-pyridylthioimidate-ZnCl2 complexes. Development of an efficient route to a thrombin inhibitor.2-吡啶硫代亚氨酸酯-ZnCl₂配合物介导的3-氨基吡嗪酮的合成。一种凝血酶抑制剂高效合成路线的开发。
J Org Chem. 2003 Nov 14;68(23):8838-46. doi: 10.1021/jo034835e.
7
New software for searching the Cambridge Structural Database and visualizing crystal structures.用于搜索剑桥结构数据库和可视化晶体结构的新软件。
Acta Crystallogr B. 2002 Jun;58(Pt 3 Pt 1):389-97. doi: 10.1107/s0108768102003324. Epub 2002 May 29.