Suppr超能文献

二水双(N,N-二乙基烟酰胺-κN(1))双(4-甲酰基苯甲酸根-κO(1))锌

Diaqua-bis-(N,N-diethyl-nicotinamide-κN(1))bis-(4-formyl-benzoato-κO(1))zinc.

作者信息

Sertçelik Mustafa, Caylak Delibaş Nagihan, Necefoğlu Hacali, Hökelek Tuncer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1067-8. doi: 10.1107/S1600536812031200. Epub 2012 Jul 14.

Abstract

In the title complex, [Zn(C(8)H(5)O(3))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Zn(II) cation is located on an inversion center and is coordinated by two 4-formyl-benzoate anions, two N,N-diethyl-nicotinamide (DENA) ligands and two water mol-ecules. The four O atoms in the equatorial plane around the Zn(II) cation form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the adjacent benzene ring is 2.96 (11)°, while the pyridine ring and the benzene ring are oriented at a dihedral angle of 79.26 (4)°. The coordinating water mol-ecule links with the carboxyl-ate group via an intra-molecular O-H⋯O hydrogen bond. In the crystal, O-H⋯O and weak C-H⋯O hydrogen bonds link the mol-ecules into a three-dimensional supra-molecular network. A π-π contact between the parallel pyridine rings of adjacent mol-ecules may further stabilize the crystal structure [centroid-centroid distance = 3.5654 (8) Å].

摘要

在标题配合物[Zn(C₈H₅O₃)₂(C₁₀H₁₄N₂O)₂(H₂O)₂]中,Zn(II)阳离子位于一个对称中心上,由两个4-甲酰基苯甲酸根阴离子、两个N,N-二乙基烟酰胺(DENA)配体和两个水分子配位。围绕Zn(II)阳离子的赤道平面中的四个O原子形成略微扭曲的平面正方形排列,而轴向位置的DENA配体的两个N原子则完成了略微扭曲的八面体配位。羧酸根基团与相邻苯环之间的二面角为2.96 (11)°,而吡啶环与苯环的二面角为79.26 (4)°。配位水分子通过分子内O—H⋯O氢键与羧酸根基团相连。在晶体中,O—H⋯O和弱C—H⋯O氢键将分子连接成三维超分子网络。相邻分子的平行吡啶环之间的π-π接触可能进一步稳定晶体结构[质心-质心距离 = 3.5654 (8) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/95f4/3414129/ecc8f6f83e45/e-68-m1067-fig1.jpg

相似文献

1
Diaqua-bis-(N,N-diethyl-nicotinamide-κN(1))bis-(4-formyl-benzoato-κO(1))zinc.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1067-8. doi: 10.1107/S1600536812031200. Epub 2012 Jul 14.
2
Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))zinc.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1127-8. doi: 10.1107/S160053681203320X. Epub 2012 Jul 28.
3
Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1091-2. doi: 10.1107/S1600536812032205. Epub 2012 Jul 18.
4
Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))nickel(II).
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m946-7. doi: 10.1107/S1600536812026943. Epub 2012 Jun 20.
5
Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-methyl-benzoato-κO)cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 21;66(Pt 5):m556-7. doi: 10.1107/S1600536810013954.
6
Diaqua-bis(4-methyl-benzoato-κO)bis-(nicotinamide-κN)nickel(II).
Acta Crystallogr Sect E Struct Rep Online. 2010 Mar 3;66(Pt 4):m361-2. doi: 10.1107/S1600536810007385.
7
Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)zinc(II).
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 2;65(Pt 5):m481-2. doi: 10.1107/S160053680901191X.
8
Diaqua-bis-(2-iodo-benzoato-κO)bis-(nicotinamide-κN(1))cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):m521-2. doi: 10.1107/S160053681201330X. Epub 2012 Mar 31.
9
Diaqua-bis-(N,N-diethyl-nicotinamide-κN)bis-(4-ethyl-benzoato-κO)cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):m619-20. doi: 10.1107/S1600536811014188. Epub 2011 Apr 22.
10
Diaqua-bis-(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2010 Aug 18;66(Pt 9):m1132-3. doi: 10.1107/S1600536810032630.

引用本文的文献

1
Di-aqua-bis-(3-chloro-benzoato-κO)bis-(nicotinamide-κN (1))cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2013 May 31;69(Pt 6):m349-50. doi: 10.1107/S160053681301458X. Print 2013 Jun 1.
2
Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))zinc.
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1127-8. doi: 10.1107/S160053681203320X. Epub 2012 Jul 28.
3
Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2012 Aug 1;68(Pt 8):m1091-2. doi: 10.1107/S1600536812032205. Epub 2012 Jul 18.

本文引用的文献

1
Diaqua-bis-(4-formyl-benzoato-κO(1))bis-(nicotinamide-κN(1))nickel(II).
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m946-7. doi: 10.1107/S1600536812026943. Epub 2012 Jun 20.
2
Diaqua-bis-(2-iodo-benzoato-κO)bis-(nicotinamide-κN(1))cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):m521-2. doi: 10.1107/S160053681201330X. Epub 2012 Mar 31.
3
Diaqua-bis-(4-bromo-benzoato-κO)bis-(nicotinamide-κN)copper(II).
Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):m900-1. doi: 10.1107/S1600536811021696. Epub 2011 Jun 11.
4
Diaqua-bis-(N,N-diethyl-nicotinamide-κN)bis-(4-ethyl-benzoato-κO)cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):m619-20. doi: 10.1107/S1600536811014188. Epub 2011 Apr 22.
5
Diaqua-bis(2-bromo-benzoato-κO)bis-(nicotinamide-κN)zinc(II).
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 30;65(Pt 5):m607-8. doi: 10.1107/S1600536809015645.
6
Diaqua-bis(2-chloro-benzoato-κO)bis-(nicotinamide-κN)nickel(II).
Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 31;65(Pt 4):m466-7. doi: 10.1107/S1600536809011209.
7
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.
8
A short history of SHELX.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
9
Some aspects of copper metabolism in pellagra.
Am J Clin Nutr. 1974 Feb;27(2):108-11. doi: 10.1093/ajcn/27.2.108.

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