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N,N'-(4,5-二甲基-1,2-亚苯基)双(吡啶-2-甲酰胺)

N,N'-(4,5-Dimethyl-1,2-phenyl-ene)bis-(pyridine-2-carboxamide).

作者信息

Van der Berg Phillipus C W, Visser Hendrik G, Roodt Andreas, Muller Theunis J

机构信息

Department of Chemistry, University of the Free State, PO Box 339, Bloemfontein 9300, South Africa.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2739. doi: 10.1107/S1600536812035064. Epub 2012 Aug 23.

DOI:10.1107/S1600536812035064
PMID:22969622
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3435751/
Abstract

In the title compound, C(20)H(18)N(4)O(2), the dihedral angles between the central benzene ring and the pyridine rings are 57.55 (6) and 22.05 (8)°. The mol-ecular conformation is stabilized by intra-molecular N-H⋯N inter-actions and in the crystal structure an inter-molecular asymmetric cyclic hydrogen-bonding association involving both amide N-H donors and a common amide O-atom acceptor gives a chain extending along the c axis.

摘要

在标题化合物C₂₀H₁₈N₄O₂中,中心苯环与吡啶环之间的二面角分别为57.55 (6)°和22.05 (8)°。分子构象通过分子内N—H⋯N相互作用得以稳定,在晶体结构中,涉及酰胺N—H供体和一个共同酰胺O原子受体的分子间不对称环状氢键缔合形成了沿c轴延伸的链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b7e6/3435751/c461256fa185/e-68-o2739-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b7e6/3435751/c461256fa185/e-68-o2739-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b7e6/3435751/c461256fa185/e-68-o2739-fig1.jpg

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本文引用的文献

1
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Acta Crystallogr Sect E Struct Rep Online. 2011 Nov;67(Pt 11):o3130. doi: 10.1107/S160053681104414X. Epub 2011 Oct 29.
2
Tuning the reactivity in classic low-spin d6 rhenium(I) tricarbonyl radiopharmaceutical synthon by selective bidentate ligand variation (L,L'-Bid; L,L'= N,N', N,O, and O,O' donor atom sets) in fac-[Re(CO)3(L,L'-Bid)(MeOH)]n complexes.通过在 fac-[Re(CO)3(L,L'-Bid)(MeOH)]n 配合物中选择性双齿配体变化(L,L'-Bid;L,L'= N,N', N,O 和 O,O'供体原子组)来调节经典低自旋 d6 铼(I)三羰基放射性药物前体的反应性。
Inorg Chem. 2011 Dec 19;50(24):12486-98. doi: 10.1021/ic2013792. Epub 2011 Nov 23.
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A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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New pyridine carboxamide ligands and their complexation to copper(II). X-Ray crystal structures of mono-, di, tri- and tetranuclear copper complexes.新型吡啶甲酰胺配体及其与铜(II)的络合作用。单核、双核、三核和四核铜配合物的X射线晶体结构。
Dalton Trans. 2004 Mar 21(6):862-71. doi: 10.1039/b316519a. Epub 2004 Feb 23.
5
N,N'-(1,2-phenylene)bis(pyridine-2-carboxamide) and N,N'-(1,2-cyclohexanediyl)bis(pyridine-2-carboxamide) toluene hemisolvate.N,N'-(1,2-亚苯基)双(吡啶-2-甲酰胺)和N,N'-(1,2-环己二亚基)双(吡啶-2-甲酰胺)甲苯半溶剂化物。
Acta Crystallogr C. 2001 Feb;57(Pt 2):192-4. doi: 10.1107/s0108270100016395.