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(E,E)-1-(2-羟基-亚氨基-1-苯基-乙基-亚基)氨基脲一水合物

(E,E)-1-(2-Hydroxy-imino-1-phenyl-ethyl-idene)semicarbazide monohydrate.

作者信息

Oztürk Aslı, Babahan Ilknur, Sarıkavaklı Nursabah, Hökelek Tuncer

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 18;65(Pt 5):o1059-60. doi: 10.1107/S1600536809013865.

DOI:10.1107/S1600536809013865
PMID:21583876
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977740/
Abstract

In the title compound, C(9)H(10)N(4)O(2)·H(2)O, the oxime unit has an E configuration, and an intra-molecular N-H⋯N hydrogen bond results in the formation of a planar five-membered ring, which is oriented with respect to the aromatic ring at a dihedral angle of 74.82 (17)°. In the crystal structure, inter-molecular O-H⋯O and N-H⋯O hydrogen bonds link the mol-ecules and R(2) (2)(8) ring motifs are apparent.

摘要

在标题化合物C₉H₁₀N₄O₂·H₂O中,肟单元具有E构型,分子内N—H⋯N氢键导致形成一个平面五元环,该五元环相对于芳香环的二面角为74.82 (17)°。在晶体结构中,分子间O—H⋯O和N—H⋯O氢键将分子连接起来,且R₂²(₈)环模式明显。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6991/2977740/43358fc61778/e-65-o1059-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6991/2977740/c244a7d40911/e-65-o1059-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6991/2977740/43358fc61778/e-65-o1059-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6991/2977740/c244a7d40911/e-65-o1059-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6991/2977740/43358fc61778/e-65-o1059-fig2.jpg

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