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2 -(萘-1-基)-4 -(萘-1-基亚甲基)-1,3 - 恶唑-5(4H)-酮

2-(Naphthalen-1-yl)-4-(naphthalen-1-yl-methyl-idene)-1,3-oxazol-5(4H)-one.

作者信息

Gündoğdu Cevher, Alp Serap, Ergün Yavuz, Tercan Barış, Hökelek Tuncer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1258-9. doi: 10.1107/S1600536811015340. Epub 2011 Apr 29.

DOI:10.1107/S1600536811015340
PMID:21754548
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3089157/
Abstract

In the title compound, C(24)H(15)NO(2), the oxazole ring is oriented at dihedral angles of 10.09 (4) and 6.04 (4)° with respect to the mean planes of the naphthalene ring systems, while the two naphthalene ring systems make a dihedral angle of 4.32 (3)°. Intra-molecular C-H⋯N hydrogen bonds link the oxazole N atom to the naphthalene ring systems. In the crystal, inter-molecular weak C-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers. π-π contacts between the oxazole and naphthalene rings and between the naphthalene ring systems [centroid-centroid distances = 3.5947 (9) and 3.7981 (9) Å] may further stabilize the crystal structure. Three weak C-H⋯π inter-actions also occur.

摘要

在标题化合物C₂₄H₁₅NO₂中,恶唑环相对于萘环系统的平均平面的二面角为10.09(4)°和6.04(4)°,而两个萘环系统之间的二面角为4.32(3)°。分子内C—H⋯N氢键将恶唑N原子与萘环系统相连。在晶体中,分子间弱C—H⋯O氢键将分子连接成中心对称的二聚体。恶唑环与萘环之间以及萘环系统之间的π-π接触[质心-质心距离 = 3.5947(9)和3.7981(9)Å]可能进一步稳定晶体结构。还存在三种弱C—H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5930/3089157/d5f714441343/e-67-o1258-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5930/3089157/e64427ace7d3/e-67-o1258-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5930/3089157/d5f714441343/e-67-o1258-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5930/3089157/e64427ace7d3/e-67-o1258-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/5930/3089157/d5f714441343/e-67-o1258-fig2.jpg

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