【摘 要】
：
The title compound 3a-hydroxy-3-phenyl-1,2,3,3a,8a-pentahydrocyclopenta[α]inden-8-one 2 (C18H16O2, Mr = 264.31) has been obtained by the treatment of 2-(3-iodo
【机 构】
：
Key Laboratory of Organic Synthesis of Jiangsu Province
论文部分内容阅读
The title compound 3a-hydroxy-3-phenyl-1,2,3,3a,8a-pentahydrocyclopenta[α]inden-8-one 2 (C18H16O2, Mr = 264.31) has been obtained by the treatment of 2-(3-iodopropyl)-2phenylindan-1,3-dione 1 with tributyltin hydride in refluxing benzene, and its crystal structure was determined by single-crystal X-ray diffraction. The analysis was carried out by direct and Fourier methods and the structure was refined by full-matrix least-squares computations. The title compound crystallizes in monoclinic, space group P21/n with a = 9.947(3), b = 10.336(3), c = 13.239(4) (A), β = 95.565(6)o, V = 1354.7(7) (A)3, Z = 4, Dc = 1.296 g/cm3, μ(MoKα) = 0.083 mm-1, F(000) = 560, the final R = 0.0749 and wR = 0.1191. X-ray analysis revealed that the bond length of O(2)C(12) is 1.219(2) (A), slightly longer than that of the normal C=O bond (1.119 (A)). The dihedral angle between planes II and III is almost 180°, while plane II is almost vertical to plane I consisting of C(1), C(3), C(4) and C(5) with the deviation of C(2) being 0.6269 (A). In addition, there exist intermolecular hydrogen bonds between O(2) and H(1)-O(1) in the crystal structure.
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