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中国物理学会期刊

α-氯代桂皮酰另丁胺晶体结构测定

CSTR: 32037.14.aps.32.280

DETERMINATION OF CRYSTAL STRUCTURE OF α-CHLORO-N-SEC-BUTYI-CINNAMIDE

CSTR: 32037.14.aps.32.280
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  • α-氯代桂皮酰另丁胺(反式异构体)的分子式为C13H15ONCl,属正交晶系,空间群为Pbca,a=18.842(0.006)?,b=14.076(0.006)?,c=10.077(0.003)?,晶胞内分子数z=8。用RASA-IIS四圆衍射仪收集衍射强度数据,独立的可观察衍射点929个。用直接法(MULTAN-80)测定其结构。以全部可观察点强度数据用准对角矩阵最小二乘法修正结构参数,R=0.088.

     

    α-CHLORO-N-SEC-BUTYI-CINNAMIDE crystal (trans) belongs to orthorhombic system. The space group is D2h15-Pbca with eight molecules in a cell of dimension α= 18.842 (0.006)?, b=14.076 (0.006)?, c=10.077 (0.003)?. The intensity data were collected on RASA-IIS four-circle diffractometer. The number of independent reflexions is 929. The structure was solved by direct method (MULTAN-80). Refinement of structure parameters was achieved by block- matrix least-squares method, R =0.088.

     

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