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Syntheses and crystal structures of 4-(4-nitro­phen­yl)piperazin-1-ium benzoate monohydrate and 4-(4-nitro­phen­yl)piperazin-1-ium 2-carb­oxy-4,6-di­nitro­phenolate

Crystal structures are reported for two mol­ecular salts containing the 4-(4-nitro­phen­yl)piperazin-1-ium cation. Co-crystallization from methanol/ethyl acetate solution of N-(4-nitro­phen­yl)piperazine with benzoic acid gives the benzoate salt, which crystallizes as a monohydrate, C(10)H(14)N(3)O(...

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Detalles Bibliográficos
Autores principales: Shankara Prasad, Holehundi J., Devaraju, Vinaya, Yathirajan, Hemmige S., Parkin, Sean R., Glidewell, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9361384/
https://www.ncbi.nlm.nih.gov/pubmed/35974828
http://dx.doi.org/10.1107/S2056989022007472
Descripción
Sumario:Crystal structures are reported for two mol­ecular salts containing the 4-(4-nitro­phen­yl)piperazin-1-ium cation. Co-crystallization from methanol/ethyl acetate solution of N-(4-nitro­phen­yl)piperazine with benzoic acid gives the benzoate salt, which crystallizes as a monohydrate, C(10)H(14)N(3)O(2)·C(7)H(5)O(2)·H(2)O, (I), and similar co-crystallization with 3,5-di­nitro­salicylic acid yields the 2-carb­oxy-4,6-di­nitro­phenolate salt, C(10)H(14)N(3)O(2)·C(7)H(3)N(2)O(7), (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 supra­molecular 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.