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题目所指的化合物(NC_6H_(10)O_4Si-CH_2CH_2CH_2Cl)属正交晶系,所属空间群为P2_12_12_1。晶胞参数:a=12.943,b=11.477,c=8.273。Z=4。取1243个可观测独立反射数据,用直接法和Fourier综合解得粗结构,经最小二乘修正,偏离因子R为0.049。三个五员环(Si,O,C,C,N)都有一个较大的扭角,分别为23.7°,41.6°,42.8°。其中带羰基环的最大扭角相对较小(23.7°)。三环最小二乘平面间夹角接近120°,分子中的氯丙基-CH_2CH_2CH_2C1近乎在一个平面上折叠。
The title compound (NC_6H_ (10) O_4Si-CH_2CH_2CH_2Cl) is an orthorhombic system, belonging to the space group P2_12_12_1. Cell parameters: a = 12.943, b = 11.477, c = 8.273. Z = 4. Taking 1243 observational independent reflection data, the rough structure was solved by the direct method and the Fourier synthesis, and the least square correction was used, the deviation factor R was 0.049. Three five-member rings (Si, O, C, C, N) have a larger torsion angle of 23.7 °, 41.6 ° and 42.8 °, respectively. Among them, the maximum torsion angle of the carbonyl ring is relatively small (23.7 °). The angle between the tricyclic least squares planes is close to 120 °, and the chloropropyl-CH_2CH_2CH_2C1 in the molecule is almost folded in one plane.