Ditopic halogen bonding with bipyrimidines and activated pyrimidines.,Acta Crystallographica Section C

当前位置： X-MOL 学术 › Acta Cryst. C › 论文详情

Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)

Ditopic halogen bonding with bipyrimidines and activated pyrimidines.
Acta Crystallographica Section C ( IF 0.7 ) Pub Date : 2020-04-20 , DOI: 10.1107/s2053229620005082
Chideraa I Nwachukwu ₁ , Leanna J Patton ₁ , Nathan P Bowling ₂ , Eric Bosch ₁

Affiliation

The potential of pyrimidines to serve as ditopic halogen‐bond acceptors is explored. The halogen‐bonded cocrystals formed from solutions of either 5,5′‐bipyrimidine (C₈H₆N₄) or 1,2‐bis(pyrimidin‐5‐yl)ethyne (C₁₀H₆N₄) and 2 molar equivalents of 1,3‐diiodotetrafluorobenzene (C₆F₄I₂) have a 1:1 composition. Each pyrimidine moiety acts as a single halogen‐bond acceptor and the bipyrimidines act as ditopic halogen‐bond acceptors. In contrast, the activated pyrimidines 2‐ and 5‐{[4‐(dimethylamino)phenyl]ethynyl}pyrimidine (C₁₄H₁₃N₃) are ditopic halogen‐bond acceptors, and 1:1 halogen‐bonded cocrystals are formed from 1:1 mixtures of each of the activated pyrimidines and either 1,2‐ or 1,3‐diiodotetrafluorobenzene. A 1:1 cocrystal was also formed between 2‐{[4‐(dimethylamino)phenyl]ethynyl}pyrimidine and 1,4‐diiodotetrafluorobenzene, while a 2:1 cocrystal was formed between 5‐{[4‐(dimethylamino)phenyl]ethynyl}pyrimidine and 1,4‐diiodotetrafluorobenzene.

中文翻译：

与联嘧啶和活化的嘧啶结合的对位卤素。

探索了嘧啶用作双位卤素键受体的潜力。由5,5'-联嘧啶（C ₈ H ₆ N ₄）或1,2-双（嘧啶-5-基）乙炔（C ₁₀ H ₆ N ₄）和2摩尔当量的溶液形成的卤素键合共晶体1,3-二碘四氟苯（C ₆ F ₄ I ₂）的组成为1：1。每个嘧啶部分均充当单个卤素键受体，联嘧啶类充当二位卤素键。相反，活化的嘧啶2和5-{[4-（二甲基氨基）苯基]乙炔基}嘧啶（C ₁₄ H ₁₃ N ₃）是对位的卤素键受体，由每种活化的嘧啶与1,2-或1,3-二碘四氟苯的1：1混合物形成1：1卤素键合的共晶体。在2-{[[4-（二甲基氨基）苯基]乙炔基}嘧啶与1,4-二碘四氟苯之间还形成了1：1共晶，而在5-{[4-（二甲基氨基）苯基]之间形成了2：1共晶。乙炔基}嘧啶和1,4-二碘四氟苯。

更新日期：2020-04-20

点击分享查看原文

点击收藏

阅读更多本刊最新论文