Crystal structure of iodoform at 106 K and of the adduct CHI3•3(C9H7N). Iodoform as a building block of co-crystals
Crystal structure of iodoform at 106 K and of the adduct CHI3•3(C9H7N). Iodoform as a building block of co-crystals
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DOI：
10.1016/j.molstruc.2012.11.016
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发表时间：
2013-03-27
影响因子：
3.8
通讯作者：
Gervasio, Giuliana
中科院分区：
文献类型：
--
作者：
Bertolotti, Federica;Gervasio, Giuliana
用X-射线单晶衍射法分析了CHI_3及其喹啉加合物在低温（106 K，CHI_3）和室温（加合物CHI_3中心点3（C_9H_7N））下的结构。在低温条件下，分子的无序被消除，P6（3）空间群的非中心对称结构允许深入研究晶体中的卤素键。碘原子在这两种化合物中清楚地显示出其亲电和亲核行为。值得注意的是，当碘仿与刘易斯碱形成三个碘原子的加合物时，它产生非中心对称晶体，并且它是获得新材料的良好候选者。(c)2012爱思唯尔有限公司版权所有。
The structures of CHI3 and of its adduct with quinoline have been analyzed using X-ray single crystal diffraction at low (106 K, CHI3) and room temperature (adduct CHI3 center dot 3(C9H7N)). The disorder of the molecule is removed at low temperature and the non centrosymmetric structure in P6(3) space group allows a deep examination of the halogen bondings in the crystal. The iodine atom clearly shows in the both compounds its electrophilic and nucleophilic behavior. It is noteworthy that when iodoform forms adducts involving the three iodine atoms with Lewis bases, it gives raise to non centrosymmetric crystals, and it is a good candidate for obtaining new materials. (c) 2012 Elsevier B.V. All rights reserved.