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11-[1-(4-甲氧基苯基)-4-氧代-3-苯氧基氮杂环丁烷-2-基]-14-甲基-12-氧杂-8,14-二氮杂四环-[8.3.3.0(1,10).0(2,7)]十六碳-2(7),3,5-三烯-9,13-二酮

11-[1-(4-Meth-oxy-phen-yl)-4-oxo-3-phen-oxy-azetidin-2-yl]-14-methyl-12-oxa-8,14-diaza-tetra-cyclo-[8.3.3.0(1,10).0(2,7)]hexa-deca-2(7),3,5-triene-9,13-dione.

作者信息

Sundaramoorthy S, Rajesh R, Raghunathan R, Velmurugan D

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):o2202. doi: 10.1107/S160053681202733X. Epub 2012 Jun 23.

DOI:10.1107/S160053681202733X
PMID:22798864
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3393999/
Abstract

In the title compound, C(30)H(27)N(3)O(6), the furan and pyrrolidine rings adopt envelope conformations (with C and N atoms as the flaps, respectively). The piperidine ring is in a distorted boat conformation. The β-lactam ring is planar [maximum deviation = 0.0044 (16) Å] and forms dihedral angles of 30.61 (9) and 85.51 (9)°, respectively, with the attached meth-oxy-phenyl and phen-oxy rings. The crystal packing is stabilized by N-H⋯O and C-H⋯O inter-actions forming R(2) (2)(8), R(2) (2)(20) and R(2) (2)(14) ring motifs. The crystal structure is further consolidated by weak C-H⋯π inter-actions.

摘要

在标题化合物C(30)H(27)N(3)O(6)中,呋喃环和吡咯烷环呈信封式构象(分别以C原子和N原子为折边)。哌啶环呈扭曲船式构象。β-内酰胺环是平面的[最大偏差 = 0.0044 (16) Å],分别与相连的甲氧基苯基和苯氧基环形成30.61 (9)°和85.51 (9)°的二面角。晶体堆积通过N-H⋯O和C-H⋯O相互作用得以稳定,形成R(2) (2)(8)、R(2) (2)(20)和R(2) (2)(14)环基序。晶体结构通过弱C-H⋯π相互作用进一步巩固。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41de/3393999/a3365e602c60/e-68-o2202-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41de/3393999/a3c8bb321601/e-68-o2202-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41de/3393999/a3365e602c60/e-68-o2202-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41de/3393999/a3c8bb321601/e-68-o2202-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41de/3393999/a3365e602c60/e-68-o2202-fig2.jpg

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