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N'-(3,5-二溴-2-羟基-亚苄基)-3,4-亚甲二氧基-苯甲酰肼

N'-(3,5-Dibromo-2-hydroxy-benzyl-idene)-3,4-methyl-enedioxy-benzohydrazide.

作者信息

Sang Ya-Li, Lin Xue-Song

机构信息

Department of Chemistry, Chifeng University, Chifeng 024001, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 20;65(Pt 7):o1631-2. doi: 10.1107/S160053680902282X.

DOI:10.1107/S160053680902282X
PMID:21582898
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969430/
Abstract

In the asymmetric unit of the title hydrazone compound, C(15)H(10)Br(2)N(2)O(4), there are two independent mol-ecules. In each mol-ecule, the five-membered ring adopts a flattened envelope conformation; the flap atoms are displaced by 0.114 (2) and 0.219 (2) Å from the planes of the other four atoms. In one mol-ecule the dihedral angle between the two benzene rings is 22.8 (2)°, while in the other it is 40.8 (2)°. Each mol-ecule displays an E configuration with respect to the C=N bond. In both mol-ecules, intra-molecular O-H⋯N hydrogen bonds are observed. In the crystal structure, mol-ecules are linked through inter-molecular N-H⋯O hydrogen bonds, forming chains along the a axis.

摘要

在标题腙化合物C(15)H(10)Br(2)N(2)O(4)的不对称单元中,有两个独立的分子。在每个分子中,五元环呈扁平信封构象;瓣原子相对于其他四个原子的平面位移了0.114 (2) Å和0.219 (2) Å。在一个分子中,两个苯环之间的二面角为22.8 (2)°,而在另一个分子中为40.8 (2)°。每个分子相对于C=N键呈现E构型。在两个分子中,均观察到分子内O-H⋯N氢键。在晶体结构中,分子通过分子间N-H⋯O氢键相连,沿a轴形成链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2afa/2969430/5f0b12638a76/e-65-o1631-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2afa/2969430/9ded85451f50/e-65-o1631-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2afa/2969430/5f0b12638a76/e-65-o1631-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2afa/2969430/9ded85451f50/e-65-o1631-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2afa/2969430/5f0b12638a76/e-65-o1631-fig2.jpg

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本文引用的文献

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Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o688. doi: 10.1107/S1600536809007466.
2
3,4,5-Trihydr-oxy-N'-(1H-indol-3-yl-methyl-idene)benzohydrazide penta-hydrate.3,4,5-三羟基-N'-(1H-吲哚-3-基亚甲基)苯甲酰肼五水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Nov 29;64(Pt 12):o2481. doi: 10.1107/S1600536808039342.
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3-Bromo-N'-[(E)-4-hydroxy-benzyl-idene]benzohydrazide.
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Acta Crystallogr Sect E Struct Rep Online. 2008 Jun 7;64(Pt 7):o1186. doi: 10.1107/S1600536808015912.
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4-Chloro-N'-[(Z)-4-nitro-benzyl-idene]benzohydrazide monohydrate.4-氯-N'-[(Z)-4-硝基-亚苄基]苯甲酰肼一水合物
Acta Crystallogr Sect E Struct Rep Online. 2008 Aug 6;64(Pt 9):o1707. doi: 10.1107/S160053680802446X.
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