Suppr超能文献

反式二水合双(1H-吡唑-3-羧基-κ(2) N,O)铜(II)二水合物的晶体结构

Crystal structure of trans-di-aqua-bis-(1H-pyrazole-3-carboxyl-ato-κ(2) N,O)copper(II) dihydrate.

作者信息

Reinoso Santiago, Artetxe Beñat, Castillo Oscar, Luque Antonio, Gutiérrez-Zorrilla Juan M

机构信息

Departamento de Química Inorgánica, Facultad de Ciencia y Tecnología, Universidad de País Vasco UPV/EHU, PO Box 644, E-48080 Bilbao, Spain.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Nov 21;71(Pt 12):m232-3. doi: 10.1107/S2056989015021593. eCollection 2015 Dec 1.

Abstract

In the title compound, [Cu(C4H3N2O2)2(H2O)2]·2H2O, the Cu(II) ion is located on an inversion centre and exhibits an axially elongated octa-hedral coordination geometry. The equatorial plane is formed by two N,O-bidentate 1H-pyrazole-3-carboxyl-ate ligands in a trans configuration. The axial positions are occupied by two water mol-ecules. The mononuclear complex mol-ecules are arranged in layers parallel to the ab plane. Each complex mol-ecule is linked to four adjacent species through inter-molecular O-H⋯O and N-H⋯O hydrogen bonds that are established between the coordinating water mol-ecules and carboxyl-ate O atoms or protonated N atoms of the organic ligands. These layers are further connected into a three-dimensional network by additional hydrogen bonds involving solvent water mol-ecules and non-coordinating carboxyl-ate O atoms.

摘要

在标题化合物[Cu(C₄H₃N₂O₂)₂(H₂O)₂]·2H₂O中,Cu(II)离子位于一个对称中心上,呈现出轴向拉长的八面体配位几何构型。赤道平面由两个呈反式构型的N,O-双齿1H-吡唑-3-羧酸酯配体构成。轴向位置由两个水分子占据。单核配合物分子排列成平行于ab平面的层。每个配合物分子通过分子间O-H⋯O和N-H⋯O氢键与四个相邻物种相连,这些氢键在配位水分子与有机配体的羧酸根O原子或质子化N原子之间形成。这些层通过涉及溶剂水分子和非配位羧酸根O原子的额外氢键进一步连接成三维网络。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/792f/4719849/7f72c974f1af/e-71-0m232-fig1.jpg

相似文献

1
Crystal structure of trans-di-aqua-bis-(1H-pyrazole-3-carboxyl-ato-κ(2) N,O)copper(II) dihydrate.
Acta Crystallogr E Crystallogr Commun. 2015 Nov 21;71(Pt 12):m232-3. doi: 10.1107/S2056989015021593. eCollection 2015 Dec 1.
2
trans-Di-aqua-bis-(pyridazine-3-carboxyl-ato-κ(2) N (2),O)copper(II).
Acta Crystallogr Sect E Struct Rep Online. 2014 Feb 28;70(Pt 3):m114-5. doi: 10.1107/S1600536814004334. eCollection 2014 Mar 1.
3
trans-Di-aqua-bis-(pyridazine-3-carboxyl-ato-κ(2) N (2),O)cobalt(II) dihydrate.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 29;69(Pt 7):m420-1. doi: 10.1107/S1600536813017340. eCollection 2013.
5
Crystal structure of aqua-(1-pyrazole-κ)(pyridine-2,6-di-carboxyl-ato-κ,,)copper(II) dihydrate.
Acta Crystallogr E Crystallogr Commun. 2017 Nov 17;73(Pt 12):1875-1877. doi: 10.1107/S2056989017016231. eCollection 2017 Dec 1.
6
Bis(3-amino-pyrazine-2-carboxyl-ato-κ(2) N (1),O)di-aqua-nickel(II) dihydrate.
Acta Crystallogr Sect E Struct Rep Online. 2013 May 11;69(Pt 6):m309-10. doi: 10.1107/S1600536813012208. Print 2013 Jun 1.
7
Octa-aqua-bis(μ(2)-1H-pyrazole-3,5-di-carboxyl-ato)tricopper(II) tetra-hydrate.
Acta Crystallogr Sect E Struct Rep Online. 2010 Jan 30;66(Pt 2):m216. doi: 10.1107/S1600536810001595.
8
Crystal structure of tetra-aqua-bis(3,5-di-amino-4H-1,2,4-triazol-1-ium)cobalt(II) bis-[bis-(pyridine-2,6-di-carboxyl-ato)cobaltate(II)] dihydrate.
Acta Crystallogr E Crystallogr Commun. 2015 May 30;71(Pt 6):m139-40. doi: 10.1107/S2056989015010014. eCollection 2015 Jun 1.
9
(3-Acetyl-4-methyl-1H-pyrazol-1-ide-5-carboxyl-ato)bis-(1,10-phenanthroline)nickel(II) 3.5-hydrate.
Acta Crystallogr Sect E Struct Rep Online. 2013 Jun 26;69(Pt 7):m417-8. doi: 10.1107/S1600536813017194. eCollection 2013.

引用本文的文献

1
Structural characterization of two tetra-chlorido-zincate salts of 4-carb-oxy-1-imidazol-3-ium: a salt hydrate and a co-crystal salt hydrate.
Acta Crystallogr E Crystallogr Commun. 2017 Jan 13;73(Pt 2):162-167. doi: 10.1107/S2056989017000317. eCollection 2017 Feb 1.

本文引用的文献

1
Functionalization of Krebs-type polyoxometalates with N,O-chelating ligands: a systematic study.
Inorg Chem. 2015 Jan 5;54(1):241-52. doi: 10.1021/ic502232v. Epub 2014 Nov 14.
2
In vivo potential antidiabetic activity of a novel zinc coordination compound based on 3-carboxy-pyrazole.
J Inorg Biochem. 2014 Feb;131:64-7. doi: 10.1016/j.jinorgbio.2013.10.019. Epub 2013 Oct 30.
3
Structure validation in chemical crystallography.
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
4
A short history of SHELX.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验