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(Z)-3-邻甲苯基-3-(对甲苯氧基)丙烯腈

(Z)-3-o-Tolyl-3-(p-tol-yloxy)acrylonitrile.

作者信息

Zhou Li, Wang Chuan-Hu, Zhou Mi

机构信息

Department of Applied Chemistry and Environmental Engineering, Bengbu College, Bengbu 233030, Anhui, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2085. doi: 10.1107/S1600536812025858. Epub 2012 Jun 13.

DOI:10.1107/S1600536812025858
PMID:22798766
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393901/
Abstract

The title compound, C(17)H(15)NO, exists in a Z conformation. The dihedral angle between the O-bonded benzene ring and the vinyl plane is 80.97 (18)° while the dihedral angle between the rings is 80.06 (10)°. In the crystal structure, no classical hydrogen bonds occur.

摘要

标题化合物C(17)H(15)NO以Z构型存在。与氧相连的苯环和乙烯基平面之间的二面角为80.97 (18)°,而两个环之间的二面角为80.06 (10)°。在晶体结构中,不存在典型的氢键。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3925/3393901/ce8f2c243593/e-68-o2085-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3925/3393901/ce8f2c243593/e-68-o2085-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3925/3393901/ce8f2c243593/e-68-o2085-fig1.jpg

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本文引用的文献

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Structure validation in chemical crystallography.化学晶体学中的结构验证
Acta Crystallogr D Biol Crystallogr. 2009 Feb;65(Pt 2):148-55. doi: 10.1107/S090744490804362X. Epub 2009 Jan 20.
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Synthesis and biological activity of phosphonate analogues and geometric isomers of the highly potent phosphoantigen (E)-1-hydroxy-2-methylbut-2-enyl 4-diphosphate.高效磷酸抗原(E)-1-羟基-2-甲基丁-2-烯基4-二磷酸的膦酸酯类似物和几何异构体的合成及生物活性
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A short history of SHELX.
SHELX简史。
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The bioactive conformation of aminoalkylindoles at the cannabinoid CB1 and CB2 receptors: insights gained from (E)- and (Z)-naphthylidene indenes.氨基烷基吲哚在大麻素CB1和CB2受体处的生物活性构象:从(E)-和(Z)-萘叉茚中获得的见解。
J Med Chem. 1998 Dec 17;41(26):5177-87. doi: 10.1021/jm9801197.