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(-)-(S)-N,N'-双[1-(1-萘基)乙基]草酰胺

(-)-(S)-N,N'-Bis[1-(1-naphth-yl)eth-yl]-oxalamide.

作者信息

Bernès Sylvain, Hernández Guadalupe, Vázquez Jaime, Tovar Alejandra, Gutiérrez René

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Oct 31;66(Pt 11):o2988. doi: 10.1107/S1600536810043424.

DOI:10.1107/S1600536810043424
PMID:21589153
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3009003/
Abstract

The title mol-ecule, C(26)H(24)N(2)O(2), displays C(2) symmetry, with the mol-ecule located on a twofold axis perpendicular to the plane of the oxalamide unit -NH-CO-CO-NH-. The oxalamide core deviates from planarity, as reflected by the O=C-C=O and N-C-C-N torsion angles of 164.3 (5) and 163.2 (5)°, respectively. The naphthyl groups are oriented toward the same face of the oxalamide mean plane and make a dihedral angle of 43.76 (8)°. This conformation is suitable for the formation of inter-molecular N-H⋯O hydrogen bonds, giving noncentrosymmetric dimers incorporating R(2) (2)(10) ring motifs. These nonbonding inter-actions propagate along the 6(1) screw axis normal to the mol-ecular twofold axis, resulting in a single-stranded right-handed helix parallel to [001]. In the crystal, Δ helices are arranged side-by-side and inter-act through π-π contacts between naphthyl groups. The shortest centroid-centroid separation between inter-acting benzene rings is 3.623 (4) Å.

摘要

标题分子C(26)H(24)N(2)O(2)具有C(2)对称性,分子位于垂直于草酰胺单元-NH-CO-CO-NH-平面的二重轴上。草酰胺核心偏离平面,O=C-C=O和N-C-C-N扭转角分别为164.3 (5)°和163.2 (5)°,反映了这一点。萘基朝向草酰胺平均平面的同一面,二面角为43.76 (8)°。这种构象适合形成分子间N-H⋯O氢键,产生包含R(2) (2)(10)环基序的非中心对称二聚体。这些非键相互作用沿着垂直于分子二重轴的6(1)螺旋轴传播,形成平行于[001]的单链右手螺旋。在晶体中,Δ螺旋并排排列,并通过萘基之间的π-π接触相互作用。相互作用的苯环之间最短的质心-质心距离为3.623 (4) Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b204/3009003/e532dcc73fd9/e-66-o2988-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b204/3009003/9ef5c813f3ab/e-66-o2988-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b204/3009003/e532dcc73fd9/e-66-o2988-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b204/3009003/9ef5c813f3ab/e-66-o2988-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b204/3009003/e532dcc73fd9/e-66-o2988-fig2.jpg

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Acta Crystallogr Sect E Struct Rep Online. 2008 May 14;64(Pt 6):o1078-9. doi: 10.1107/S1600536808013652.
2
Hydrogen-bonded supramolecular networks of N,N'-bis(4-pyridylmethyl)oxalamide and 4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate.N,N'-双(4-吡啶甲基)草酰胺与4,4'-{[草酰双(氮杂二亚基)]二亚甲基}二吡啶二硝酸盐的氢键超分子网络
Acta Crystallogr C. 2010 May;66(Pt 5):o241-4. doi: 10.1107/S0108270110010280. Epub 2010 Apr 13.
3
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SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
4
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Acta Crystallogr C. 2007 May;63(Pt 5):m216-9. doi: 10.1107/S0108270107014527. Epub 2007 Apr 21.
5
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J Am Chem Soc. 2005 Nov 30;127(47):16416-25. doi: 10.1021/ja052200m.
6
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Chem Commun (Camb). 2005 Apr 14(14):1807-11. doi: 10.1039/b502713f. Epub 2005 Mar 15.
7
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Acta Crystallogr D Biol Crystallogr. 1997 Sep 1;53(Pt 5):513-23. doi: 10.1107/S0907444997003983.
8
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