2-苄基-4-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-八氢-1H-异吲哚-2-基]-4-氧代丁酸苄酯
Benzyl 2-benzyl-4-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octa-hydro-1H-isoindol-2-yl]-4-oxobutano-ate.
作者信息
Shang Zhenhua, Xu Longpeng, Zheng Ligang, Zhang Yong
机构信息
College of Chemical and Pharmaceutical Engineering, Hebei University of Science and Technology, Hebei Research Center of Pharmaceutical and Chemical Engineering, State Key Laboratory Breeding Base-Hebei Province Key Laboratory of Molecular Chemistry for Drugs, Shijiazhuang 050018, People's Republic of China.
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):o2853. doi: 10.1107/S1600536812037567. Epub 2012 Sep 5.
In the title compound, C(26)H(31)NO(3), the octa-hydro-1H-isoindole ring is not planar and the two rings are twisted with a C-C-C-C torsion angle of 73.6 (4)°. The six-membered ring has a chair conformation while the five-membered ring has an envelope conformation on the C-atom in position 7a. The H atoms in the 3a- and 7a-psitions are cis and the H-C-C-H torsion angle is 42.36°.
在标题化合物C(26)H(31)NO(3)中，八氢-1H-异吲哚环不是平面的，两个环扭转，C-C-C-C扭转角为73.6 (4)°。六元环具有椅式构象，而五元环在7a位的C原子上具有信封式构象。3a位和7a位的H原子是顺式的，H-C-C-H扭转角为42.36°。
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