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2-{(E)-1-[2-(2-硝基苯基)肼-1-亚基]乙基}苯-1,3-二醇一水合物

2-{(E)-1-[2-(2-Nitro-phen-yl)hydrazin-1-yl-idene]eth-yl}benzene-1,3-diol mono-hydrate.

作者信息

Howie R Alan, Wardell James L, Wardell Solange M S V, Tiekink Edward R T

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Mar 1;68(Pt 3):o765-6. doi: 10.1107/S1600536812006241. Epub 2012 Feb 17.

DOI:10.1107/S1600536812006241
PMID:22412640
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3295529/
Abstract

The hydrazone mol-ecule in title monohydrate, C(14)H(13)N(3)O(4)·H(2)O, is almost coplanar, the dihedral angle between the terminal benzene rings being 3.22 (15)°; the nitro group is coplanar with the benzene ring to which it is bonded [O-N-C-C = -2.8 (4)°]. The hy-droxy group forms an intra-molecular hydrogen bond with the imine N atom, and the conformation about the imine bond [1.305 (3) Å] is E. In the crystal, supra-molecular layers in the (203) plane are connected into a double layer via water-nitro O-H⋯O hydrogen bonds, along with π-π inter-actions [ring centroid-centroid distance = 3.7859 (19) Å].

摘要

标题一水合物C(14)H(13)N(3)O(4)·H(2)O中的腙分子几乎共面,末端苯环之间的二面角为3.22 (15)°;硝基与它所连接的苯环共面[O-N-C-C = -2.8 (4)°]。羟基与亚胺N原子形成分子内氢键,亚胺键[1.305 (3) Å]的构象为E型。在晶体中,(203)平面上的超分子层通过水-硝基O-H⋯O氢键以及π-π相互作用[环质心-质心距离 = 3.7859 (19) Å]连接成双层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/993b/3295529/4242587c0a3d/e-68-0o765-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/993b/3295529/a0eb4d6bd22a/e-68-0o765-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/993b/3295529/4242587c0a3d/e-68-0o765-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/993b/3295529/a0eb4d6bd22a/e-68-0o765-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/993b/3295529/4242587c0a3d/e-68-0o765-fig2.jpg

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