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(4Z)-4-苄叉基-2-苯基-1,3-恶唑-5(4H)-酮

(4Z)-4-Benzyl-idene-2-phenyl-1,3-oxazol-5(4H)-one.

作者信息

Asiri Abdullah M, Faidallah Hassan M, Sobahi Tariq R, Ng Seik Weng, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):o1154. doi: 10.1107/S1600536812011579. Epub 2012 Mar 24.

DOI:10.1107/S1600536812011579
PMID:22606100
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3344097/
Abstract

In the title compound, C(17)H(13)NO(2), the benzene ring is twisted slightly out of the plane of the oxazole ring to which it is attached [dihedral angle = 7.98 (8)°]. Similarly, there is a twist [dihedral angle = 5.50 (8)°] between the oxazole and phenyl rings that are linked via the C=C bond [1.348 (2) Å]; the conformation about the latter is Z. In the crystal, the presence of C-H⋯O, C-H⋯π and π-π inter-actions [centroid-centroid distance = 3.5259 (9) Å] link the mol-ecules into a three-dimensional architecture.

摘要

在标题化合物C₁₇H₁₃NO₂中,苯环与相连的恶唑环平面稍有扭曲[二面角 = 7.98 (8)°]。类似地,通过C=C键[1.348 (2) Å]相连的恶唑环和苯环之间也存在扭曲[二面角 = 5.50 (8)°];后者的构象为Z型。在晶体中,C-H⋯O、C-H⋯π和π-π相互作用[质心-质心距离 = 3.5259 (9) Å]的存在将分子连接成三维结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f10d/3344097/5a39643f6cb5/e-68-o1154-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f10d/3344097/7a2e842f0caa/e-68-o1154-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f10d/3344097/5a39643f6cb5/e-68-o1154-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f10d/3344097/7a2e842f0caa/e-68-o1154-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f10d/3344097/5a39643f6cb5/e-68-o1154-fig2.jpg

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本文引用的文献

1
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.
2
Oxazolones: new tyrosinase inhibitors; synthesis and their structure-activity relationships.恶唑酮类:新型酪氨酸酶抑制剂;合成及其构效关系
Bioorg Med Chem. 2006 Sep 1;14(17):6027-33. doi: 10.1016/j.bmc.2006.05.014. Epub 2006 Jun 5.
3
Synthesis and biological evaluation of 3,4-diaryloxazolones: A new class of orally active cyclooxygenase-2 inhibitors.3,4-二芳基恶唑酮的合成与生物学评价:一类新型口服活性环氧合酶-2抑制剂
Erratum: (4Z)-4-Benzyl-idene-2-phenyl-1,3-oxazol-5(4H)-one. Corrigendum.
勘误:(4Z)-4-苄叉基-2-苯基-1,3-恶唑-5(4H)-酮。更正。
Acta Crystallogr E Crystallogr Commun. 2015 Oct 17;71(Pt 11):e4. doi: 10.1107/S2056989015019271. eCollection 2015 Nov 1.
J Med Chem. 2000 Jan 27;43(2):214-23. doi: 10.1021/jm991106b.