Synthesis, spectroscopic studies and crystal structure of 1,2-bis (4-nitro benzoyloxy) ethane

Khan M.S.U.; Bolte M.; Akhter Z.; Siddiqi H.M.

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Synthesis, spectroscopic studies and crystal structure of 1,2-bis (4-nitro benzoyloxy) ethane

机译：1,2-双（4-硝基苯甲酰氧基）乙烷的合成，光谱研究和晶体结构

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The dinitro compound, 1,2-bis (4-nitro benzoyloxy) ethane, was synthesized by nucleophilic substitution reaction under inert atmosphere using Schotten-Baumann conditions and characterized by its melting point, elemental analysis, FT-IR, ~1H and ~(13)C-NMR spectroscopic studies. The structure of the title compound was also determined by single crystal X-ray crystallography. The compound crystallizes in the orthorhombic space group Aba2 with cell parameters a = 33.119(2) ?, b = 8.1301(5) ?, c = 11.9784(8) ?, V = 3225.3(4) ?~3 and Z = 8. The central O-CH_2-CH_2-O unit present in the compound shows a partially eclipsed conformation. The dihedral angle between the two aromatic rings is 45.87 (6)o. The terminal nitro groups and the bridging ester groups present in the compound are almost coplanar with the aromatic rings to which they are attached.

机译：使用Schotten-Baumann条件在惰性气氛下通过亲核取代反应合成了二硝基化合物1,2-双（4-硝基苯甲酰氧基）乙烷，并通过熔点，元素分析，FT-IR，〜1H和〜（ 13）C-NMR光谱研究。标题化合物的结构也通过单晶X射线晶体学确定。该化合物在正交晶空间群Aba2中结晶，晶格参数为a = 33.119（2），b = 8.1301（5），c = 11.9784（8），V = 3225.3（4）~~ 3和Z = 8。该化合物中存在的中心O-CH_2-CH_2-O单元显示出部分黯淡的构象。两个芳环之间的二面角为45.87（6）o。化合物中存在的末端硝基基团和桥连酯基几乎与它们所连接的芳环共面。

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《Journal of chemical crystallography》 |2011年第8期|共5页
作者
Khan M.S.U.; Bolte M.; Akhter Z.; Siddiqi H.M.;
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正文语种 eng
中图分类晶体学;
关键词
Crystal structure; Dinitro precursor; Nucleophilic substitution; Spectroscopic studies;

机译：晶体结构二硝基前体亲核取代光谱研究;

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1. Synthesis, spectroscopic studies and crystal structure of 1,2-bis (4-nitro benzoyloxy) ethane [J] . Khan M.S.U., Bolte M., Akhter Z., Journal of chemical crystallography . 2011,第8期

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Synthesis, spectroscopic studies and crystal structure of 1,2-bis (4-nitro benzoyloxy) ethane

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