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Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe
CrystEngComm ( IF 2.6 ) Pub Date : 2020-10-28 , DOI: 10.1039/d0ce01267j Hidemasa Hikawa 1, 2, 3, 4 , Ayaka Takahashi 1, 2, 3, 4 , Shoko Kikkawa 1, 2, 3, 4 , Ayaka Suzuki 1, 2, 3, 4 , Yoshiki Takahashi 1, 2, 3, 4 , Naruka Sato 1, 2, 3, 4 , Misaki Okayasu 1, 2, 3, 4 , Isao Azumaya 1, 2, 3, 4
CrystEngComm ( IF 2.6 ) Pub Date : 2020-10-28 , DOI: 10.1039/d0ce01267j Hidemasa Hikawa 1, 2, 3, 4 , Ayaka Takahashi 1, 2, 3, 4 , Shoko Kikkawa 1, 2, 3, 4 , Ayaka Suzuki 1, 2, 3, 4 , Yoshiki Takahashi 1, 2, 3, 4 , Naruka Sato 1, 2, 3, 4 , Misaki Okayasu 1, 2, 3, 4 , Isao Azumaya 1, 2, 3, 4
Affiliation
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The molecular conformations, packing structures and intermolecular interactions of homopentapeptides from achiral α-aminoisobutyric acid (Aib), ArSO2-(Aib)5-OMe (Ar = p-tolyl, p-bromophenyl and p-methoxyphenyl), have been investigated by single-crystal X-ray diffraction analysis. The peptides were folded in 310-helical conformations consisting of two or three consecutive ten-atom intramolecular hydrogen-bonded β-turns of type III or III′. In the packing mode, left-handed (M) and right-handed (P) 310-helical molecules formed linear network structures with head-to-tail type intermolecular hydrogen bonds. Two types of network structures consisting of homochiral sequences (⋯M⋯M⋯M⋯ or ⋯P⋯P⋯P⋯) and heterochiral sequences (⋯M⋯P⋯M⋯P⋯) were obtained depending on the functional groups or substituents of the peptides. Interestingly, peptide 1a which has a p-tolyl group crystallized differently when using a different crystallization medium.
中文翻译：
在ArSO2-（Aib）5-OMe晶体中观察到手性和杂手性缔合
通过非手性α-氨基异丁酸（Aib），ArSO 2-（Aib）5 -OMe（Ar =对甲苯基，对溴苯基和对甲氧基苯基）的同五肽的分子构象，堆积结构和分子间相互作用单晶X射线衍射分析。将肽折叠成3个10螺旋构象，该构象由两个或三个连续的III型或III'型十原子分子内氢键合的β-转角组成。在打包模式下，左手（M）和右手（P）3 10-螺旋分子形成具有头尾型分子间氢键的线性网络结构。根据功能基团或取代基的不同，获得了两种由同手性序列（⋯ M ⋯ M ⋯ M ⋯或⋯ P ⋯ P ⋯ P ⋯）和杂手性序列（⋯ M ⋯ P ⋯ M ⋯ P consisting）组成的网络结构。肽。有趣的是，当使用不同的结晶介质时，具有对甲苯基的肽1a结晶不同。
更新日期：2020-11-18
中文翻译：
在ArSO2-（Aib）5-OMe晶体中观察到手性和杂手性缔合
通过非手性α-氨基异丁酸（Aib），ArSO 2-（Aib）5 -OMe（Ar =对甲苯基，对溴苯基和对甲氧基苯基）的同五肽的分子构象，堆积结构和分子间相互作用单晶X射线衍射分析。将肽折叠成3个10螺旋构象，该构象由两个或三个连续的III型或III'型十原子分子内氢键合的β-转角组成。在打包模式下，左手（M）和右手（P）3 10-螺旋分子形成具有头尾型分子间氢键的线性网络结构。根据功能基团或取代基的不同，获得了两种由同手性序列（⋯ M ⋯ M ⋯ M ⋯或⋯ P ⋯ P ⋯ P ⋯）和杂手性序列（⋯ M ⋯ P ⋯ M ⋯ P consisting）组成的网络结构。肽。有趣的是，当使用不同的结晶介质时，具有对甲苯基的肽1a结晶不同。
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