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1-二茂铁基-3-(4-甲基苯胺基)丙-1-酮

1-Ferrocenyl-3-(4-methyl-anilino)propan-1-one.

作者信息

Leka Zorica, Novaković Sladjana B, Stevanović Dragana, Bogdanović Goran A, Vukićević Rastko D

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Feb 1;68(Pt 2):m230. doi: 10.1107/S1600536812003509. Epub 2012 Jan 31.

Abstract

In the title ferrocene derivative, [Fe(C(5)H(5))(C(15)H(16)NO)], the dihedral angle between the best planes of the benzene and the substituted cyclo-penta-dienyl ring is 83.4 (1)°. The presence of a methyl substituent in the para position of the aniline group does not alter the crystal packing compared to that of 3-anilino-1-ferrocenylpropan-1-one [Leka et al. (2012 ▶). Acta Cryst. E68, m229]. The molecules are connected into centro-symmetric dimers via N-H⋯O hydrogen bonds. In addition, C-H⋯O and C-H⋯N contacts stabilize the crystal packing.

摘要

在标题二茂铁衍生物[Fe(C₅H₅)(C₁₅H₁₆NO)]中,苯环与取代环戊二烯基环的最佳平面之间的二面角为83.4 (1)°。与3-苯胺基-1-二茂铁基丙-1-酮[Leka等人(2012年▶)。Acta Cryst. E68, m229]相比,苯胺基团对位甲基取代基的存在并未改变晶体堆积。分子通过N-H⋯O氢键连接成中心对称二聚体。此外,C-H⋯O和C-H⋯N接触使晶体堆积得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/4f10/3274942/9fcfb668ad3b/e-68-0m230-fig1.jpg

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