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

Holehundi J. Shankara Prasad, Devaraju, Vinaya, Hemmige S. Yathirajan, Sean R. Parkin, Christopher Glidewell

Research output: Contribution to journalArticlepeer-review

4 Scopus citations

Abstract

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, C10H14N3O2·C7H5O2·H2O, (I), and similar co-crystallization with 3,5-dinitrosalicylic acid yields the 2-carboxy-4,6-dinitrophenolate salt, C10H14N3O2·C7H3N2O7, (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.

Original languageEnglish
Pages (from-to)840-845
Number of pages6
JournalActa Crystallographica Section E: Crystallographic Communications
Volume78
DOIs
StatePublished - Aug 1 2022

Bibliographical note

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Keywords

  • crystal structure
  • hydrogen bonding
  • molecular structure
  • piperazine
  • supramolecular assembly
  • synthesis

ASJC Scopus subject areas

  • General Chemistry
  • General Materials Science
  • Condensed Matter Physics

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