Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters
Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters
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2,4-二-O-乙酰基-6-O-甲苯磺酰肌醇1,3,5-原酸酯构象多晶型中通过保守偶极（醚）O⋯CO短接触连接的同构分子链
DOI：
10.1039/b818888b
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发表时间：
2009
期刊：
影响因子：
3.1
通讯作者：
M. S. Shashidhar
中科院分区：
文献类型：
--
作者：
K. Manoj;R. Gonnade;M. Bhadbhade;M. S. Shashidhar
用单晶X射线衍射、热分析和热台显微镜技术表征了外消旋2，4-二-O-乙酰基-6-O-对甲苯磺酰肌醇-1，3，5-原甲酸酯及其原乙酸酯类似物的构象二异构体。在这些多晶型中，由于O-S键的旋转，对甲苯磺基采用了不同的构象。原甲酸盐衍生物的II晶型中，对甲苯磺酰基的扭转角发生了显著的变化(∼56°)，表现为分子内偶极SO-⋯CO(磺酰-羰基)短接触。在所有构象多晶型中，一个有趣的特征是形成了一个等构弦(尽管对甲苯磺基的取向不同)，它通过偶极(醚)O⋯CO接触连接，并被其他弱相互作用进一步缝合，在它们的晶格中形成不同的层。
Conformational dimorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoformate and its orthoacetate analogue were characterized using single crystal X-ray diffraction, thermal analysis and hot-stage microscopy techniques. In these polymorphs, the tosyl group adopted different conformations due to the rotation about the O–S bond. A significant variation in the torsion angle for the tosyl group (∼56°) was observed for Form II crystal of the orthoformate derivative, which exhibited an intramolecular dipolar SO⋯CO (sulfonyl–carbonyl) short contact. An interesting feature in all conformational polymorphs is the formation of an isostructural string (despite the differences in the orientation of the tosyl group) linked via dipolar (ether) O⋯CO contacts, which is further stitched by other weak interactions to form different layers in their crystal lattice.