| 杂氮三环化合物的X射线研究V.2,9,10-三氧杂-6-氮杂-1-硼三环[4,3,3,0~(1,6)]十二烷-3-酮的分子结构 |
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| 引用本文： | 邝宝,戴金璧,吴冶新,吴观丽. 杂氮三环化合物的X射线研究V.2,9,10-三氧杂-6-氮杂-1-硼三环[4,3,3,0~(1,6)]十二烷-3-酮的分子结构[J]. 结构化学, 1983, 0(4) |
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| 作者姓名： | 邝宝 戴金璧 吴冶新 吴观丽 |
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| 作者单位： | 北京大学生物系(邝宝)，中国科学院生物物理所(戴金璧)，中国科学院化学所(吴冶新)，中国科学院化学所(吴观丽) |
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| 摘 要： | 题目所指的化合物是在β位引入羰基扩环而形成六元环的新化合物,是杂氮三环研究中一个有意义的结构模型。它属正交晶系,空间群为Pha2_1,晶胞参数为a=16.913,b=8.138,c=6.123;晶胞内所含的分子数Z=4;计算密度Dc=1.457g·cm~(-3)。 使用PW-1100四圆衍射仪,MoKα射线收集衍射强度。用直接法和付立叶综合解得结构,取3°≤2θ≤50°的630个可观测独立反射数据,经最小二乘法修正,最终偏离因子R=0.088。在化合物中,N→B键长为1.637。
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X-Ray Study on the AtranesV. Molecular Structure of2, 9, 10-Trioxa-6-Aza -1-Boratricycles (4, 3, 3,0~(1,6))Dodecane-3-one |
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| Abstract: | We have been studying the molecular structures of a series of silatranes and boratranes which are made up of three five-membered rings in their skeletons. The interesting structural model in the present paper is a new compound containing one six-membered ring in its molecule formed by β-aminoacid. It belongs to the orthorhombic system with space group Pna2 and unit cell dimensions: a=16.913, b=8.138, c=6.123A, Z=4. The calculated density.Dc=1.457g·cm-3The intensity data are collected on the Philips PW-1100 dif-fractometer(MoKα). the structure has been solved by direct method and Fourier synthesis and refined to an R value of 0.088 by the least-squares method; for 630 observable independent reflections (3≤2θ≤50). The bond distance data of N-B dative bond (1.637A) indicate that it is shorter than the distance (1.663A) of the corresponding boratrane of three five-membered rings. |
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