摘要
标题化合物二乙胺合三（５－甲基－２－苯并噻唑基）硼烷（Ｃ２８Ｈ２９ＢＮ４Ｓ３（Ｍｒ＝５２７．５７）的晶体属于三斜晶系，空间群为Ｐ１，晶胞参数ａ＝０．３９７（８）ｎｍ，ｂ＝１．１７４２（６）ｎｍ，ｃ＝１．３１００（２）ｎｍ，α＝１０４．２９（２）°，β＝９２．９９（３）°，γ＝９８．５８（５）°，Ｖ＝１．３７９０ｎｍ３，Ｚ＝２，Ｄｃ＝１．２７０ｇ／ｃｍ３，μ（ＭｏＫα）＝２．８０４ｃｍ－１．结构的偏离因子Ｒ＝０．０６４８，Ｒｗ＝０．０７３７．结构测定表明，甲基取代基的电子效应导致硼碳键键长的平均化，预示杂环对硼原子的π－电子反馈与胺基氮原子对硼原子的反馈有彼消此长的关系．
The crystal structure of diethylaminotris(5 methyl 2 benzothiazolyl) borane was determined by X ray diffraction methods. The crystallographic date are as follows:Crystal belongs to triclinic, space group P 1 , a =0.397(8)nm, b =1 174 2(6)nm, c =1.310 0(2)nm, α =104 29(2)°, β =92 99(3)°, γ =98 58(5)°, V =1.379 0 nm 3, Z=2,D c =1 270 g/cm 3, μ (Mo K α )=2 804 cm -1 . The structure of the title compound was solved by direct methods and refined by full matrix least squares pricedures to a final R of 0.064 8 and R w of 0.049 for 367 1 reflections with I≥3σ(I ). The results show that the electronic effects of 5 methyl substituted make its B—C bonds equalization and N—B bond significantly shorten
出处
《武汉大学学报（自然科学版）》
CSCD
1998年第4期421-424,共4页
Journal of Wuhan University(Natural Science Edition)
