Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide

Oishi T.; Tsuzaki S.; Sugai T.; Sato T.; Chida N.

首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide

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Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide

机译：（+）-N-[（1R，5S，6S，9S）-5-羟甲基-3,3,9-三甲基-8-oxo-2,4,7-三氧双环[4.3.0] nonan-的晶体结构9-基]乙酰胺

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In the title compound, C12H19NO6, the six-membered 1,3-dioxane ring adopts a chair-like conformation. The seat of this chair, containing two O atoms, is essentially planar, with a maximum deviation of 0.0021 (12) Å. The five-membered oxolane ring cis-fused to the 1,3-dioxane ring adopts an envelope form. The bridgehead C atom at the flap, which is bonded to the tetrasubstituted C atom of the oxolane ring, deviates from the mean plane of other ring atoms by 0.539 (4) Å. In the crystal, classical O—H⋯O and N—H⋯O hydrogen bonds link the molecules into a sheet structure enclosing an R44(24) graph-set motif. Weak intermolecular C—H⋯O interactions support the sheet formation.

机译：在标题化合物C12H19NO6中，六元1,3-二恶烷环采用类似于椅子的构象。该椅子的座位包含两个O原子，基本上是平面的，最大偏差为0.0021（12）Å。与1，3-二恶烷环顺式稠合的五元恶烷环采用包络形式。与氧杂环戊烷环的四取代的C原子键合的襟翼上的桥头C原子与其他环原子的平均平面偏离0.539（4）Å。在晶体中，经典的O-H⋯O和N-H bondsO氢键将分子连接成片状结构，其中包含R44（24）图形设置的基序。分子间的CHH = O弱相互作用支持了薄片的形成。

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《Acta Crystallographica Section E: Crystallographic Communications》 |2016年第5期|共4页
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Oishi T.; Tsuzaki S.; Sugai T.; Sato T.; Chida N.;
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中图分类晶体学;
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CRYSTAL STRUCTUREBICYCLIC COMPOUND1,3-DIOXANEOXOLANEHYDROGEN BONDHYDROXY GROUP;

机译：晶体结构双环化合物1,3-二氧杂环戊烷氢键合羟基;

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机译：（1R，2R，3S，4S，5S，6S，7R，9S）-6-叠氮基-7-氰基-3-C-羟基-甲基-3,3'-二-O-异亚丙基-9-的晶体结构对河豚毒素的甲氧基-2,4,5-三（O-甲氧基甲基）-2,3,4,5-四羟基-8-氧杂双环[4.3.0]壬烷
2. Crystal structure of (1R,2S,3R,5S,8S,9S,10S,15S)-9,10,15-trihydroxy-2,12,12-trimethyl-6-methy lene-7-oxo-17-oxapentacyclo[7.6.2.1(5,8).0(1,11).0(2,8)]octadec-3-yl acetate sesquihydrate, C22H30O7 center dot 1.5H(2)O [J] . Shi H, Yang L Zeitschrift fur Kristallographie. New crystal structures . 2009,第4期

机译：（1R，2S，3R，5S，8S，9S，10S，15S）-9,10,15-三羟基-2,12,12-三甲基-6-甲基烯烃-7-氧代-17-氧杂五环的晶体结构[ 7.6.2.1（5,8）.0（1,11）.0（2,8）]醋酸十八烷基三倍半水合物，C22H30O7中心点1.5H（2）O
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4. Crystal structure of (+)-N-(1R5S6S9S)-5-hydroxymethyl-339-trimethyl-8-oxo-247-trioxabicyclo4.3.0nonan-9-ylacetamide [O] . Takeshi Oishi, Shun Tsuzaki, Tomoya Sugai, 2016

机译：（+）-N-（1R5S6S9S）-5-羟甲基-339-三甲基-8-oxo-247-三氧双环4.3.0 nonan-的晶体结构9-基乙酰胺
5. Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide [O] . Takeshi Oishi, Shun Tsuzaki, Tomoya Sugai, 2016

机译：（+） - N - [（1R，5s，6s，9s）-5-羟甲基-3,3,9-三甲基-8-氧代-2,4,7-三氧杂双环[4.3.0]壬烷的晶体结构-9-基]乙酰胺
6. Novel Square Pyramidal Copper(II) Complexes of the Stereospecific Linear NSNNTetradentate Ligand N-((2-Pyridyl)methyl)-2-((2-Aminoethyl)thio) Acetamide (pygeH). The Crystal Structures of (Cu(pyge)X) (X = Br, N3) [R] . Toscano, P. J., Fordon, K. J., Macherone, D., 1990

机译：新型方形金字塔形铜（II）配合物的立体特异性线性NsNN四齿配体N - （（2-吡啶基）甲基）-2 - （（2-氨基乙基）硫代）乙酰胺（pygeH）。（Cu（pyge）X）（X = Br，N3）的晶体结构

Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxy­methyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabi­cyclo­[4.3.0]nonan-9-yl]acetamide

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Crystal structure of (+)-N-[(1R,5S,6S,9S)-5-hydroxymethyl-3,3,9-trimethyl-8-oxo-2,4,7-trioxabicyclo[4.3.0]nonan-9-yl]acetamide