Suppr超能文献

二水合双(N,N - 二乙基烟酰胺 - κN)双(4 - 甲基苯甲酸根 - κO)钴(II)

Diaqua-bis(N,N-diethyl-nicotinamide-κN)bis-(4-methyl-benzoato-κO)cobalt(II).

作者信息

Necefoğlu Hacali, Cimen Efdal, Tercan Barış, Ermiş Emel, Hökelek Tuncer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 21;66(Pt 5):m556-7. doi: 10.1107/S1600536810013954.

Abstract

In the centrosymmetric mononuclear title complex, [Co(C(8)H(7)O(2))(2)(C(10)H(14)N(2)O)(2)(H(2)O)(2)], the Co(II) ion is located on an inversion center. The asymmetric unit contains one 4-methyl-benzoate (PMB) anion, one N,N-diethyl-nicotinamide (DENA) ligand and one coordinated water mol-ecule. The four O atoms in the equatorial plane around the Co(II) ion form a slightly distorted square-planar arrangement, while the slightly distorted octa-hedral coordination is completed by the two pyridine N atoms of the DENA ligands in the axial positions. The dihedral angle between the carboxyl-ate group and the attached benzene ring is 3.73 (14)°, while the pyridine and benzene rings are oriented at a dihedral angle of 77.28 (6)°. In the crystal structure, inter-molecular O-H⋯O and C-H⋯O hydrogen bonds link the mol-ecules into a two-dimensional network parallel to (001). The structure is further stabilized by π-π contacts between the pyridine rings [centroid-centroid distance = 3.544 (1) Å] and weak C-H⋯π inter-actions involving the benzene ring.

摘要

在中心对称单核标题配合物[Co(C₈H₇O₂)₂(C₁₀H₁₄N₂O)₂(H₂O)₂]中,Co(II)离子位于一个对称中心上。不对称单元包含一个4-甲基苯甲酸根(PMB)阴离子、一个N,N-二乙基烟酰胺(DENA)配体和一个配位水分子。Co(II)离子周围赤道平面上的四个O原子形成略微扭曲的平面正方形排列,而轴向位置上DENA配体的两个吡啶N原子则完成了略微扭曲的八面体配位。羧酸根基团与相连苯环之间的二面角为3.73 (14)°,而吡啶环与苯环的二面角为77.28 (6)°。在晶体结构中,分子间的O-H⋯O和C-H⋯O氢键将分子连接成平行于(001)的二维网络。吡啶环之间的π-π接触[质心-质心距离 = 3.544 (1) Å]以及涉及苯环的弱C-H⋯π相互作用进一步稳定了该结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f70c/2979235/c3fc8f1cdde7/e-66-0m556-fig1.jpg

相似文献

1
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.
2
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.
3
Diaqua-bis(4-methyl-benzoato-κO)bis-(nicotinamide-κN)manganese(II).
Acta Crystallogr Sect E Struct Rep Online. 2010 Apr 10;66(Pt 5):m490-1. doi: 10.1107/S1600536810011815.
4
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.
5
Diaqua-bis(2-bromo-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)nickel(II).
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 13;65(Pt 7):m766-7. doi: 10.1107/S1600536809021795.
6
Diaqua-bis(2-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)nickel(II).
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 22;65(Pt 5):m545-6. doi: 10.1107/S1600536809014226.
7
Diaqua-bis-(N,N-diethyl-nicotinamide-κN)bis[4-(dimethyl-amino)-benzoato-κO]cobalt(II).
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 8;65(Pt 9):m1051-2. doi: 10.1107/S1600536809030980.
8
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.
9
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.
10
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.

引用本文的文献

1
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.

本文引用的文献

1
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.
2
Diaqua-bis(2-chloro-benzoato-κO)bis-(N,N-diethyl-nicotinamide-κN)manganese(II).
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 10;65(Pt 5):m513-4. doi: 10.1107/S160053680901318X.
3
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.
4
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.
5
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.
6
A short history of SHELX.
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
7
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