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N,N'-双（4-氟苯基）脲

N,N'-Bis(4-fluoro-phen-yl)urea.

作者信息

Loh Wan-Sin, Fun Hoong-Kun, Sarveswari S, Vijayakumar V, Ragavan R Venkat

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 May 12;66(Pt 6):o1319. doi: 10.1107/S1600536810016399.

DOI:10.1107/S1600536810016399
PMID:21579412
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2979587/
Abstract

The asymmetric unit of the title compound, C(13)H(10)F(2)N(2)O, contains one and a half N,N'-bis-(4-fluoro-phen-yl)urea mol-ecules. One of the mol-ecules has crystallographic twofold rotation symmetry. The benzene rings are twisted from each other by dihedral angles of 29.69 (6)° for the mol-ecule in a general position and 89.83 (6)° for the symmetry-generated mol-ecule. In the crystal structure, a pair of inter-molecular N-H⋯O hydrogen bonds link symmetry-related mol-ecules into chains along the b axis, forming R(2) (1)(6) ring motifs.

摘要

标题化合物C(13)H(10)F(2)N(2)O的不对称单元包含一个半N,N'-双（4-氟苯基）脲分子。其中一个分子具有晶体学二重旋转对称性。对于处于一般位置的分子，苯环相互扭转的二面角为29.69（6）°，对于对称生成的分子，二面角为89.83（6）°。在晶体结构中，一对分子间的N-H⋯O氢键将对称相关的分子沿b轴连接成链，形成R(2) (1)(6)环 motif。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b587/2979587/26f1db699fce/e-66-o1319-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b587/2979587/a5792b4c2698/e-66-o1319-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b587/2979587/26f1db699fce/e-66-o1319-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b587/2979587/a5792b4c2698/e-66-o1319-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b587/2979587/26f1db699fce/e-66-o1319-fig2.jpg

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本文引用的文献

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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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Omega-carboxypyridyl substituted ureas as Raf kinase inhibitors: SAR of the amide substituent.作为Raf激酶抑制剂的ω-羧基吡啶基取代脲：酰胺取代基的构效关系
Bioorg Med Chem Lett. 2004 Feb 9;14(3):783-6. doi: 10.1016/j.bmcl.2003.11.041.
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7-Hydroxynaphthalen-1-yl-urea and -amide antagonists of human vanilloid receptor 1.7-羟基萘-1-基脲和人香草酸受体1的酰胺拮抗剂。
Bioorg Med Chem Lett. 2004 Jan 19;14(2):531-4. doi: 10.1016/j.bmcl.2003.09.090.
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Phenyl thiazolyl urea and carbamate derivatives as new inhibitors of bacterial cell-wall biosynthesis.苯基噻唑基脲和氨基甲酸酯衍生物作为细菌细胞壁生物合成的新型抑制剂
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