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15-（2-氯苯基）-6b-羟基-17-甲基-6b,7,16,17-四氢-7,14a-亚甲基萘并[1',8':1,2,3]吡咯并[3',2':8,8a]薁并[5,6-b]喹啉-14（15H）-酮的晶体结构

Crystal structure of 15-(2-chloro-phen-yl)-6b-hy-droxy-17-methyl-6b,7,16,17-tetra-hydro-7,14a-methanona-phtho[1',8':1,2,3]pyrrolo-[3',2':8,8a]azuleno[5,6-b]quinolin-14(15H)-one.

作者信息

Joseph J M, Viswanathan Vijayan, Velmurugan Devadasan

机构信息

Centre of Advanced Study in Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai 600 025, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Dec 31;71(Pt 12):o1091-2. doi: 10.1107/S2056989015024767. eCollection 2015 Dec 1.

DOI:10.1107/S2056989015024767
PMID:26870514
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4719995/
Abstract

In the title compound, C34H25ClN2O2, the fused pyrrolidine ring adopts an envelope conformation with the N atom as the flap. The two adjacent cyclo-pentane rings also adopt envelope conformations. The mean plane of the pyrrolidine ring makes dihedral angles of 40.53 (10) and 80.23 (10)° with the mean planes of the cyclo-pentane rings. The dihedral angle between the mean planes of the cyclo-pentane rings is 46.71 (9)°. An intra-molecular O-H⋯N hydrogen bond is observed. In the crystal, mol-ecules are linked by C-H⋯O, C-H⋯N and C-H⋯π inter-actions, forming a layer parallel to (10-2).

摘要

在标题化合物C34H25ClN2O2中，稠合的吡咯烷环呈信封式构象，以N原子为 flap。两个相邻的环戊烷环也呈信封式构象。吡咯烷环的平均平面与环戊烷环的平均平面的二面角分别为40.53 (10)°和80.23 (10)°。环戊烷环的平均平面之间的二面角为46.71 (9)°。观察到分子内存在O-H⋯N氢键。在晶体中，分子通过C-H⋯O、C-H⋯N和C-H⋯π相互作用相连，形成平行于(10-2)的层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/fd3188c922b1/e-71-o1091-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/c17f55c6a1c8/e-71-o1091-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/5131c4c6dcce/e-71-o1091-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/567ad56a1620/e-71-o1091-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/fd3188c922b1/e-71-o1091-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/c17f55c6a1c8/e-71-o1091-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/5131c4c6dcce/e-71-o1091-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/567ad56a1620/e-71-o1091-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b55/4719995/fd3188c922b1/e-71-o1091-fig4.jpg

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