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2'-[(2',4'-二氟联苯-4-基)羰基]-1'-苯基-1',2',5',6',7',7a'-六氢-螺[吲哚-3,3'-吡咯嗪]-2(1H)-酮的晶体结构

Crystal structure of 2'-[(2',4'-di-fluoro-biphenyl-4-yl)carbon-yl]-1'-phenyl-1',2',5',6',7',7a'-hexa-hydro-spiro-[indole-3,3'-pyrrolizin]-2(1H)-one.

作者信息

Fathimunnisa M, Manikandan H, Selvanayagam S, Sridhar B

机构信息

Department of Chemistry, Faculty of Science, Annamalai University, Annamalainagar 608 002, India.

Department of Physics, Kings College of Engineering, Punalkulam 613 303, India.

出版信息

Acta Crystallogr E Crystallogr Commun. 2015 Jul 11;71(Pt 8):915-8. doi: 10.1107/S2056989015012931. eCollection 2015 Aug 1.

DOI:10.1107/S2056989015012931
PMID:26396754
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC4571355/
Abstract

In the title pyrrolizidine derivative, C33H26F2N2O2, both pyrrolidine rings of the pyrrolizidine moiety adopt an envelope conformation. The di-fluoro-phenyl group is oriented at an angle of 54.3 (1)° with respect to the oxindole moiety. The crystal packing features an N-H⋯O hydrogen bond, which forms an R 2 (2)(8) motif, and a C-H⋯O inter-action, which generates a C(8) chain along [010]. In addition, this chain structure is stabilized by C-H⋯π inter-actions. In one of the pyrrolidine rings, the methyl-ene group forming the flap of an envelope and the H atoms of the adjacent methyl-ene groups are disordered over two sets of sites, with site-occupancy factors of 0.571 (4) and 0.429 (4).

摘要

在标题吡咯里西啶衍生物C33H26F2N2O2中,吡咯里西啶部分的两个吡咯烷环均呈信封式构象。二氟苯基相对于吲哚酮部分的取向角度为54.3 (1)°。晶体堆积具有形成R 2 (2)(8)基序的N-H⋯O氢键和沿[010]方向生成C(8)链的C-H⋯O相互作用。此外,这种链结构通过C-H⋯π相互作用得以稳定。在其中一个吡咯烷环中,形成信封式瓣的亚甲基以及相邻亚甲基的H原子在两组位置上无序排列,占位因子分别为0.571 (4)和0.429 (4)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/27fa32634455/e-71-00915-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/9bb097ae9901/e-71-00915-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/3970856d13e1/e-71-00915-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/c9e6de7f7268/e-71-00915-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/faa218451542/e-71-00915-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/27fa32634455/e-71-00915-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/9bb097ae9901/e-71-00915-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/3970856d13e1/e-71-00915-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/c9e6de7f7268/e-71-00915-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/faa218451542/e-71-00915-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/36e0/4571355/27fa32634455/e-71-00915-fig5.jpg

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