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N'-[(5-甲基-3-氧代-2-苯基-2,3-二氢-1H-吡唑-4-基)(噻吩-2-基)亚甲基]苯甲酰肼

N'-[(5-Methyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(thio-phen-2-yl)methyl-idene]benzohydrazide.

作者信息

Zhu Hualing, Zhu Jinhua, Bu Luxia, Shi Jun, Wang Juan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 May 1;68(Pt 5):o1368-9. doi: 10.1107/S1600536812014821. Epub 2012 Apr 13.

DOI:10.1107/S1600536812014821
PMID:22590262
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344500/
Abstract

In the title compound, C(22)H(18)N(4)O(2)S, the seven-membered ring generated by an intra-molecular N-H⋯O hydrogen bond adopts an envelope conformation in both of the two independent mol-ecules in the asymmetric unit. In the crystal, mol-ecules are linked into C(9) chains along [100] by N-H⋯O hydrogen bonds. The mol-ecules are also weakly linked by C-H⋯O and C-H⋯N inter-actions, forming dimers with edge-connected R(2) (2)(9) rings. The dimers are inter-linked by further weak C-H⋯N hydrogen bonds into chains along [010].

摘要

在标题化合物C₂₂H₁₈N₄O₂S中，由分子内N-H⋯O氢键形成的七元环在不对称单元中的两个独立分子中均呈信封构象。在晶体中，分子通过N-H⋯O氢键沿[100]方向连接成C(9)链。分子还通过C-H⋯O和C-H⋯N相互作用微弱连接，形成具有边连接R₂²(9)环的二聚体。这些二聚体通过进一步的弱C-H⋯N氢键沿[010]方向相互连接成链。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b4c/3344500/35534a08d735/e-68-o1368-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b4c/3344500/826d0faac0ad/e-68-o1368-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b4c/3344500/7cb21b107168/e-68-o1368-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b4c/3344500/35534a08d735/e-68-o1368-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b4c/3344500/826d0faac0ad/e-68-o1368-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b4c/3344500/7cb21b107168/e-68-o1368-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6b4c/3344500/35534a08d735/e-68-o1368-fig3.jpg

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本文引用的文献

1
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2
N'-(5-Chloro-2-hydroxy-benzyl-idene)nicotinohydrazide.N'-(5-氯-2-羟基-亚苄基)烟酰肼
Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 6;65(Pt 7):o1505-6. doi: 10.1107/S1600536809020819.
3
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.
4
The crystal structures of copper(II), manganese(II), and nickel(II) complexes of a (Z)-2-hydroxy-N'-(2-oxoindolin-3-ylidene) benzohydrazide--potential antitumor agents.一种（Z）-2-羟基-N'-（2-氧代吲哚啉-3-亚基）苯甲酰肼的铜（II）、锰（II）和镍（II）配合物的晶体结构——潜在的抗肿瘤剂。
Bioorg Med Chem Lett. 2007 Jul 1;17(13):3774-7. doi: 10.1016/j.bmcl.2007.04.006. Epub 2007 Apr 10.
5
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Bioorg Med Chem Lett. 2006 Oct 15;16(20):5384-8. doi: 10.1016/j.bmcl.2006.07.060. Epub 2006 Aug 4.
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