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首页> 外文期刊>Crystal growth & design >Short S=O center dot center dot center dot C=O contacts associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate in their inclusion complexes
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Short S=O center dot center dot center dot C=O contacts associate diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate in their inclusion complexes

机译:短S = O中心点中心点中心点C = O接触2,4(6)-二-O-苯甲酰基-6(4)-O-[(1S)-10-樟脑磺酰基]-肌醇的非对映异构体1,3,5-原甲酸酯的包合物

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摘要

Diastereomers of 2,4(6)-di-O-benzoyl-6(4)-O-[(1S)-10-camphorsulfonyl]-myo-inositol 1,3,5-orthoformate are linked via short S=O••• C=O contacts ranging from 2.890 to 3.140 &ANGS; (sum of the van der Waals radii of O and C atoms 3.22 &ANGS;) in all the inclusion complexes formed with organic guest solvents having a C2 symmetry. Although a search for S= O••• C=O interactions in the CSD showed a sizable number of structures, this communication recognizes its significance for the first time in the formation of molecular assemblies. In all the crystals in the present study except the solvent-free form, the S=O bond points almost perpendicularly to the Csp2 atom of the C=O group. This was also the most frequently observed geometrical approach in CSD analysis. The solvent-free form shows dimer formation via C-H••• O interaction, which has longer S=O••• C=O contacts.
机译:2,4(6)-二-O-苯甲酰基-6(4)-O-[(1S)-10-樟脑磺酰基]-肌醇1,3,5-原甲酸酯的非对映异构体通过短S = O&BULL连接; •• C = O接触范围为2.890至3.140&ANGS; (由O和C原子的范德华半径之和3.22&ANGS;)与具有C2对称性的有机客体溶剂形成的所有包合物中。尽管搜索S = O••• CSD中的C = O相互作用显示出相当数量的结构,这种交流是第一次认识到其在分子组装体形成中的重要性。在本研究的所有晶体中,除无溶剂形式外,S = O键几乎垂直于C = O基团的Csp2原子。这也是CSD分析中最常观察到的几何方法。无溶剂形式显示出通过C-H•••形成二聚体。 O交互,它具有更长的S = O••• C = O触点。

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