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N-羟基-N-邻甲苯基乙酰胺

N-Hydr-oxy-N-o-tolyl-acetamide.

作者信息

Li Yu-Hao, Liu Rui, Zhang Xiang-Ning, Zhu Hong-Jun

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Jan 30;64(Pt 2):o533. doi: 10.1107/S1600536808002468.

DOI:10.1107/S1600536808002468
PMID:21201552
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2960255/
Abstract

In the mol-ecule of the title compound, C(9)H(11)NO(2), the methyl C atom bonded to the ring and the N atom lie in the benzene ring plane. An intra-molecular O-H⋯O hydrogen bond results in the formation of a five-membered planar ring, which is oriented at a dihedral angle of 81.37 (3)° with respect to the benzene ring. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules stacked along the b axis. There are also π-π inter-actions between benzene rings with a face-to-face stacking distance of 3.434 Å.

摘要

在标题化合物C₉H₁₁NO₂的分子中,与环相连的甲基碳原子和氮原子位于苯环平面内。分子内的O—H⋯O氢键导致形成一个五元平面环,该环相对于苯环的二面角为81.37(3)°。在晶体结构中,分子间的O—H⋯O氢键连接着沿b轴堆叠的分子。苯环之间还存在π-π相互作用,面对面堆叠距离为3.434 Å。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd2/2960255/4420e11b86a7/e-64-0o533-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd2/2960255/ffe4eb66dda9/e-64-0o533-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd2/2960255/4420e11b86a7/e-64-0o533-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd2/2960255/ffe4eb66dda9/e-64-0o533-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd2/2960255/4420e11b86a7/e-64-0o533-fig2.jpg

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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.