苯甲酸4-(4-硝基苯基)哌嗪-1-鎓一水合物和2-羧基-4,6-二硝基苯酚4-(4-硝基苯基)哌嗪-1-鎓的合成与晶体结构
Syntheses and crystal structures of 4-(4-nitro-phen-yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro-phen-yl)piperazin-1-ium 2-carb-oxy-4,6-di-nitro-phenolate.
作者信息
Shankara Prasad Holehundi J, Yathirajan Hemmige S, Parkin Sean R, Glidewell Christopher
机构信息
Department of Chemistry, Yuvaraja's College, University of Mysore, Mysore-570 005, India.
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore-570 006, India.
出版信息
Acta Crystallogr E Crystallogr Commun. 2022 Jul 26;78(Pt 8):840-845. doi: 10.1107/S2056989022007472. eCollection 2022 Aug 1.
Crystal structures are reported for two mol-ecular salts containing the 4-(4-nitro-phen-yl)piperazin-1-ium cation. Co-crystallization from methanol/ethyl acetate solution of -(4-nitro-phen-yl)piperazine with benzoic acid gives the benzoate salt, which crystallizes as a monohydrate, CHNO·CHO·HO, (I), and similar co-crystallization with 3,5-di-nitro-salicylic acid yields the 2-carb-oxy-4,6-di-nitro-phenolate salt, CHNO·CHNO, (II). In the structure of (I), a combination of O-H⋯O, N-H⋯O and C-H⋯O hydrogen bonds links the components into sheets, while in the structure of (II), the supra-molecular assembly, generated by hydrogen bonds of the same types as in (I), is three dimensional. Comparisons are made with the structures of some related compounds.
报道了两种含有4-(4-硝基苯基)哌嗪-1-鎓阳离子的分子盐的晶体结构。4-(4-硝基苯基)哌嗪与苯甲酸在甲醇/乙酸乙酯溶液中共同结晶得到苯甲酸盐，其以一水合物CHNO·CHO·HO（I）的形式结晶，与3,5-二硝基水杨酸进行类似的共同结晶得到2-羧基-4,6-二硝基苯酚盐CHNO·CHNO（II）。在（I）的结构中，O-H⋯O、N-H⋯O和C-H⋯O氢键的组合将各组分连接成层，而在（II）的结构中，由与（I）中相同类型的氢键产生的超分子组装是三维的。与一些相关化合物的结构进行了比较。
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