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首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >Two polymorphs of 2,5‐dichloro‐3,6‐bis(dibenzylamino)‐ p p ‐hydroquinone with flexible dibenzylamino groups
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Two polymorphs of 2,5‐dichloro‐3,6‐bis(dibenzylamino)‐ p p ‐hydroquinone with flexible dibenzylamino groups

机译:2,5-二氯-3,6-双(二苄氨基) - P-羟基喹啉的两种多晶型物,具有柔性二苄基氨基

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摘要

We obtained two conformational polymorphs of 2,5‐dichloro‐3,6‐bis(dibenzylamino)‐ p ‐hydroquinone, C 34 H 30 Cl 2 N 2 O 2 . Both polymorphs have an inversion centre at the centre of the hydroquinone ring ( Z ′ = ), and there are no significant differences between their bond lengths and angles. The most significant structural difference in the molecular conformations was found in the rotation of the phenyl rings of the two crystallographically independent benzyl groups. The crystal structures of the polymorphs were distinguishable with respect to the arrangement of the hydroquinone rings and the packing motif of the phenyl rings that form part of the benzyl groups. The phenyl groups of one polymorph are arranged in a face‐to‐edge motif between adjacent molecules, with intermolecular C—H…π interactions, whereas the phenyl rings in the other polymorph form a lamellar stacking pattern with no significant intermolecular interactions. We suggest that this partial conformational difference in the molecular structures leads to the significant structural differences observed in their molecular arrangements.
机译:我们获得了两种构象多态的2,5-二氯-3,6-双(二苄基氨基) - p-羟基醌,C 34 H 30 Cl 2 N 2 O 2。两种多晶型物在氢醌环(Z'=)的中心处具有倒置中心,并且它们之间的键长和角度之间没有显着差异。在两个晶形上独立的苄基的苯环旋转中发现了分子构象中最显着的结构差异。多晶型物的晶体结构相对于苯醌环的布置和形成苄基的苯环的包装基序的布置可区分。一种多晶型物的苯基在相邻分子之间的面对边缘基序中布置,具有分子间C-H ...π相互作用,而另一个多晶型物中的苯环形成具有显着的分子间相互作用的层状堆叠图案。我们认为分子结构的这种部分构象差异导致其分子布置中观察到的显着结构差异。

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