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3,4-亚甲二氧基硝基苯合成和晶体结构(英文) 被引量:2

Synthesis and crystal structure of 3,4-methylenedioxy-nitrobenzene
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摘要 3,4-亚甲二氧基硝基苯由1,2-亚甲二氧基苯经硝化反应合成.其晶体结构经X射线衍射测定为单射晶系,空间结构P21/c,Z=4,晶包参数为a=0.378 00(8)nm;b=1.000 3(2)nm;c=1.822 4(4)nm;β=97.33(3);°Mr=167.12;V=0.683 4(2)nm3,Dc=1.624 g/cm3,μ(M oKα)=0.136 mm-1,F(000)=344,R=0.070 7,wR=0.182 8.3,4-亚甲二氧基硝基苯中所有原子位于同一平面上,其中O(1)最大偏离为-0.003 4 nm. 3,4-methylenedioxy-nitrobenzene was synthesized from 1, 2-methylenedioxy-benzene by nitration. The structure of the compound was determined by X-ray crystallography. It is monoclinic, space group P21/c, Z = 4. The lattice parameters of compound are as follows: a = 0. 378 00(8) nm; b = 1. 000 3(2) nm; c = 1. 822 4(4) nm; β = 97. 33(3)°; Mr = 167. 12; V = 0. 683 4(2) nm^3, Dc = 1. 624 g/cm^3, μ(MoKα) = 0. 136 mm^-1, F(000) = 344, R = 0. 070 7, ωR = 0. 182 8. All atoms are to be coplanar with the maximum deviation of -0. 003 4 nm for O(1).
出处 《大连理工大学学报》 EI CAS CSCD 北大核心 2006年第4期488-490,共3页 Journal of Dalian University of Technology
关键词 3 4-亚甲二氧基硝基苯 合成 晶体结构 3,4-methylenedioxy-nitrobenzene synthesis crystal structure
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  • 1TAKAKIS I M, HADJIMI H , PHAEDON M.Influence of the heterocyclic side ring on orientation during nitrations of 1,2-alkylenedioxy-annelated benzenes and their mononitro derivative[J]. J Heterocyclic Chem ,1991,28(3) :625-634
  • 2AGUI H, YASUNAGA K, NAKASHITA M, et al.Lower alkyl 4-chloro-6,7-methylenedioxyquinoline-3-carboxylates[P]. Japan Kokai JP51086497,1976-07-29
  • 3KIMURA M, NISHIDA S, TAKEDA S, et al. Benzodioxole derivatives ,methods for their preparation and their use for the treatment of liver disease [P]. EP488144, 1992-06-03
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