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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。
The title refers to compounds that introduce a carbonyl ring at the beta position to form a six-membered ring, which is a meaningful structural model in the study of aza-tricyclo. It belongs to the orthorhombic system with the space group Pha2_1, unit cell parameters a = 16.913, b = 8.138, c = 6.123; the number of molecules contained in the unit cells is Z = 4; the calculated density is Dc = 1.457g · cm ~ -3). Diffraction intensities were collected using a PW-1100 four-circle diffractometer with MoKα radiation. The structures were solved by the direct method and the Fourier method. 630 observable independent reflections of 3 ° ≤ 2θ ≤ 50 ° were obtained and corrected by the least square method. The final deviation factor was R = 0.088. In compounds, the N → B bond length was 1.637.