5-{[4-(二甲基氨基)-苯基]乙炔基}嘧啶-1,2,3,5-四氟-4,6-二碘苯(1/2)
5-{[4-(Di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine-1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene (1/2).
作者信息
Bosch Eric, Bowling Nathan P
机构信息
Chemistry and Biochemistry Department, Missouri State University, Springfield MO 65897, USA.
Department of Chemistry, University of Wisconsin-Stevens Point, 2101 Fourth Avenue, Stevens Point, WI 54481, USA.
出版信息
IUCrdata. 2022 Apr 12;7(Pt 4):x220380. doi: 10.1107/S2414314622003807. eCollection 2022 Apr.
The treatment of 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine with a threefold excess of 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene in di-chloro-methane solution led to the formation of the unexpected 1:2 title co-crystal, CHN·2CFI. In the extended structure, two unique C-I⋯N halogen bonds from one of the 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene mol-ecules to the pyrimidine N atoms of the 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine mol-ecule generate [110] chains and layers of these chains are π-stacked along the axis direction. The second 1,2,3,5-tetra-fluoro-4,6-di-iodo-benzene mol-ecule resides in channels formed parallel to the -axis direction between stacks of 5-{[4-(di-methyl-amino)-phen-yl]ethyn-yl}pyrimidine mol-ecules and inter-acts with them C-I⋯π(alkyne) contacts.
在二氯甲烷溶液中，将5-{[4-(二甲基氨基)-苯基]乙炔基}嘧啶与三倍过量的1,2,3,5-四氟-4,6-二碘苯反应，意外地生成了1:2的标题共晶体CHN·2CFI。在扩展结构中，一个1,2,3,5-四氟-4,6-二碘苯分子的两个独特的C-I⋯N卤键与5-{[4-(二甲基氨基)-苯基]乙炔基}嘧啶分子的嘧啶N原子形成[110]链，并且这些链的层沿着轴方向进行π堆积。第二个1,2,3,5-四氟-4,6-二碘苯分子位于与5-{[4-(二甲基氨基)-苯基]乙炔基}嘧啶分子堆叠之间平行于轴方向形成的通道中，并通过C-I⋯π(炔烃)接触与它们相互作用。
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