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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (−)-(5R,7R,8S,9R,10S)-8-methyl-7-[(5R)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatri­cyclo­[8.3.0.05,9]tridecan-13-one monohydrate
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Crystal structure of (−)-(5R,7R,8S,9R,10S)-8-methyl-7-[(5R)-3-methyl-2-oxooxolan-3-en-5-yl]-1-aza-6-oxatri­cyclo­[8.3.0.05,9]tridecan-13-one monohydrate

机译:(-)-(5R,7R,8S,9R,10S)-8-甲基-7-[(5R)-3-甲基-2-氧代氧杂戊-3-3-基-5-基] -1-氮杂的晶体结构-6-氧三环[8.3.0.05,9] tridecan-13-一水合物

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摘要

The title compound, C17H23NO4·H2O, is an epimer of the natural tetra­cyclic alkaloid isosaxorumamide which consists of a fused 5–7–5 tricyclic core and a di­hydro­furan­one substituent. The terminal di­hydro­furan ring is essentially planar with a maximum deviation of 0.0273 (14) Å from the mean plane and oxolane, azepane and pyrrolidine rings in the tricyclic ring system adopt twist, twist-chair and envelope forms, respectively. In the crystal, the amide and water mol­ecules are linked by O—H⋯O hydrogen bonds, forming a tape structure running along the b-axis direction. The tapes are further connected by C—H⋯O inter­actions into a three-dimensional architecture.
机译:标题化合物C17H23NO4·H2O是天然四环生物碱异异烟酰胺的差向异构体,其由稠合的5-7-5三环核和二氢呋喃酮取代基组成。末端二氢呋喃环基本上是平面的,与平均平面的最大偏差为0.0273(14)Å,三环系统中的环氧丙烷,氮杂环戊烷和吡咯烷环分别采用扭转,扭转椅和包络形式。在晶体中,酰胺和水分子通过OH = O氢键连接,形成沿b轴方向延伸的带状结构。这些磁带通过C–H = O相互作用进一步连接成三维结构。

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