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8-溴-3-[1-(4-甲氧基苯基)-4-氧代-3-苯基氮杂环丁烷-2-基]-1-甲基-1,2,3,3a,4,9b-六氢色烯并[4,3-b]吡咯-3a-羧酸甲酯

Methyl 8-bromo-3-[1-(4-meth-oxy-phen-yl)-4-oxo-3-phenyl-azetidin-2-yl]-1-methyl-1,2,3,3a,4,9b-hexa-hydro-chromeno[4,3-b]pyrrole-3a-carboxyl-ate.

作者信息

Sharmila P, Jagadeesan G, Raju Rajesh, Raghavachary Raghunathan, Aravindhan S

机构信息

Department of Physics, Presidency College, Chennai 600 005, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Sep 21;69(Pt 10):o1570. doi: 10.1107/S1600536813024963. eCollection 2013.

DOI:10.1107/S1600536813024963
PMID:24098249
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3790430/
Abstract

In the title compound, C30H29BrN2O5, the β-lactam ring is essentially planar, with the O atom displaced from this plane by 0.856 (9) Å, and forming dihedral angles of 24.35 (13) and 89.42 (14)° with the planes of the benzene substituent groups on this ring. The tetra-hydro-pyran ring adopts an envelope conformation with the C atom bearing the β-lactam ring as the flap. In the crystal, weak C-H⋯O hydrogen bonds with carboxyl and tetra-hydro-pyran O-atom acceptors give rise to a chain structure extending along the b-axis direction.

摘要

在标题化合物C₃₀H₂₉BrN₂O₅中,β-内酰胺环基本呈平面状,其中O原子偏离该平面0.856(9) Å,并与该环上苯取代基的平面形成24.35(13)°和89.42(14)°的二面角。四氢吡喃环呈信封构象,带有β-内酰胺环的C原子为翻盖。在晶体中,与羧基和四氢吡喃O原子受体形成的弱C-H⋯O氢键产生了沿b轴方向延伸的链状结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/604f/3790430/c9d14dab993e/e-69-o1570-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/604f/3790430/0a3dcb0aa604/e-69-o1570-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/604f/3790430/c9d14dab993e/e-69-o1570-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/604f/3790430/0a3dcb0aa604/e-69-o1570-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/604f/3790430/c9d14dab993e/e-69-o1570-fig2.jpg

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本文引用的文献

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