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苄基 N-[(S)-2-羟基-1-({[(E)-2-羟基-4-甲氧基苄叉基]肼基}羰基)乙基]氨基甲酸酯

Benzyl N-[(S)-2-hy-droxy-1-({[(E)-2-hy-droxy-4-meth-oxy-benzyl-idene]hydrazin-yl}carbon-yl)eth-yl]carbamate.

作者信息

de Souza Marcus V N, Pinheiro Alessandra C, Tiekink Edward R T, Wardell Solange M S V, Wardell James L

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Nov 20;66(Pt 12):o3253-4. doi: 10.1107/S1600536810047720.

DOI:10.1107/S1600536810047720
PMID:21589538
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3011551/
Abstract

The shape of the title compound, C(19)H(21)N(3)O(6), is curved with the conformation about the imine bond [1.291 (3) Å] being E. While the hy-droxy-substituted benzene ring is almost coplanar with the hydrazinyl residue [N-N-C-C = 177.31 (18)°], an observation correlated with an intra-molecular O-H⋯N hydrogen bond leading to an S(6) ring, the remaining residues exhibit significant twists. The carbonyl residues are directed away from each other as are the amines. This allows for the formation of O-H⋯O and N-H⋯O hydrogen bonds in the crystal, which lead to two-dimensional supra-molecular arrays in the ac plane. Additional stabilization to the layers is afforded by C-H⋯π inter-actions.

摘要

标题化合物C(19)H(21)N(3)O(6)的形状呈弯曲状,亚胺键[1.291 (3) Å]的构象为E型。虽然羟基取代的苯环与肼基几乎共面[N-N-C-C = 177.31 (18)°],这一现象与导致形成S(6)环的分子内O-H⋯N氢键相关,但其余残基呈现出明显的扭曲。羰基残基与胺基残基相互背离。这使得晶体中形成O-H⋯O和N-H⋯O氢键,从而在ac平面上形成二维超分子阵列。C-H⋯π相互作用为这些层提供了额外的稳定性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6dc/3011551/b4704e905268/e-66-o3253-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6dc/3011551/2f57448fc292/e-66-o3253-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6dc/3011551/b4704e905268/e-66-o3253-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6dc/3011551/2f57448fc292/e-66-o3253-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/e6dc/3011551/b4704e905268/e-66-o3253-fig2.jpg

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