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6-[(2,4-二甲基苯胺基)亚甲基]-2-羟基-环己-2,4-二烯酮

6-[(2,4-Di-methyl-anilino)methyl-idene]-2-hy-droxy-cyclo-hexa-2,4-dienone.

作者信息

Shujah Shaukat, Ali Saqib, Tahir M Nawaz, Meetsma Auke

机构信息

Department of Chemistry, Kohat University of Science & Technology, Kohat 26000, Kohat, Pakistan.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 May 11;69(Pt 6):o871. doi: 10.1107/S1600536813012233. Print 2013 Jun 1.

DOI:10.1107/S1600536813012233
PMID:23795050
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3685031/
Abstract

In the title compound, C15H15NO2, the dihedral angle between the aromatic rings is 5.86 (6)°, and an intra-molecular N-H⋯O hydrogen bond generates an S(6) motif, which helps to stabilize the enamine-keto tautomer. An intra-molecular O-H⋯O hydrogen bond also occurs. In the crystal, inversion dimers linked by pairs of O-H⋯O hydrogen bonds generate R 2 (2)(10) loops. A C-H⋯O inter-action links the dimers into [010] chains and aromatic π-π stacking [centroid-centroid separation = 3.6131 (9) Å] also occurs.

摘要

在标题化合物C₁₅H₁₅NO₂中,芳环之间的二面角为5.86 (6)°,分子内N-H⋯O氢键生成一个S(6)基序,有助于稳定烯胺-酮互变异构体。还存在分子内O-H⋯O氢键。在晶体中,通过O-H⋯O氢键对连接的反演二聚体生成R₂²(10)环。C-H⋯O相互作用将二聚体连接成[010]链,并且还存在芳族π-π堆积[质心-质心间距 = 3.6131 (9) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/620e/3685031/f0cab40bd510/e-69-0o871-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/620e/3685031/ab1c3588c51b/e-69-0o871-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/620e/3685031/f0cab40bd510/e-69-0o871-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/620e/3685031/ab1c3588c51b/e-69-0o871-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/620e/3685031/f0cab40bd510/e-69-0o871-fig2.jpg

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本文引用的文献

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