Synthesis, characterization, and X-ray crystallographic structure of 1,3-dimethyl-2(3H)-imidazoleselone
Synthesis, characterization, and X-ray crystallographic structure of 1,3-dimethyl-2(3H)-imidazoleselone
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1,3-二甲基-2(3H)-咪唑硒酮的合成、表征和X射线晶体结构
DOI：
10.1002/hc.520040416
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发表时间：
1993
影响因子：
0.3
通讯作者：
K. L. Bergbauer
中科院分区：
文献类型：
--
作者：
Daniel J. Williams;M. R. Fawcett;R. Raye;D. VanDerveer;Y. Pang;Robert L. Jones;K. L. Bergbauer
硒与碘化1，3-二甲基咪唑鎓在K2 CO 3甲醇溶液中反应生成1，3-二甲基-2（3 H）-咪唑酮，其中有三个加成产物，两个与溴，一个与碘甲烷，已经合成，并且X射线晶体学分析显示其结构由硒-取代的平面杂环，其键距和键角与先前报道的硫类似物[1，3-二甲基-2（3 H）-咪唑硫酮，dmit]。晶体数据：C5H8N2Se，空间群C mcm，M = 175.03，a = 8.625（3），B = 11.447（6），c = 6.900（4）A，V = 681.24 A3，Z = 4，Dc = 1.707 g cm−3，D0 = 1.68 g cm−3，λ = 0.71073 A（Mo-Kα），μ = 5.35 mm−1，R = 0.034，Rw = 0.031。
The reaction of elemental Se with 1,3-dimethylimidazolium iodide in methanolic K2CO3 yields 1,3-dimethyl-2(3H)-imidazoleselone for which three addition products, two with bromine and one with iodomethane, have been synthesized and for which X-ray crystallographic analysis shows the structure to consist of a selenium-substituted planar heterocyclic ring with bond distances and angles significantly different from those noted for the previously reported sulfur analog [1,3-dimethyl-2(3H)-imidazolethione, dmit]. Crystal data: C5H8N2Se, space group C mcm, M = 175.03, a = 8.625(3), b = 11.447(6), c = 6.900(4) A, V = 681.24 A3, Z = 4, Dc = 1.707 g cm−3, D0 = 1.68 g cm−3, λ = 0.71073 A (Mo-Kα), μ = 5.35 mm−1, R = 0.034, and Rw = 0.031.