Crystal structure of a 1: 1 salt of 4-aminobenzoic acid (Vitamin B10) with pyrazinoic acid

K. V. Drozd, S. G. Arkhipov, E. V. Boldyrevab, G. L. Perlovich

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

The title 1:1 salt, C7H8NO2 +·C5H3N2O2 - (systematic name: 4-carboxyanilinium pyrazine-2-carboxylate), was synthesized successfully by slow evaporation of a saturated solution from water-ethanol (1:1 v/v) mixture and characterized by X-ray diffraction (SCXRD, PXRD) and calorimetry (DSC). The crystal structure of the salt was solved and refined at 150 and 293 K. The salt crystallizes with one molecule of 4-aminobenzoic acid (PABA) and one molecule of pyrazinoic acid (POA) in the asymmetric unit. In the crystal, the PABA and POA molecules are associated via COOH⋯Narom heterosynthons, which are connected by N - H⋯O hydrogen bonds, creating zigzag chains. The chains are further linked by N - H⋯O hydrogen bonds and π-π stacking interactions along the b axis [centroid-to-centroid distances = 3.7377 (13) and 3.8034 (13) Å at 150 and 293 K, respectively] to form a layered three-dimensional structure.

Original languageEnglish
Pages (from-to)1923-1927
Number of pages5
JournalActa Crystallographica Section E: Crystallographic Communications
Volume74
Issue numberPt 12
DOIs
Publication statusPublished - 1 Dec 2018

Keywords

  • 4-aminobenzoic acid
  • crystal structure
  • hydrogen bonding
  • melting point
  • pyrazinoic acid
  • salt
  • STABILITY
  • PH
  • PARA-AMINOBENZOIC ACID
  • COCRYSTAL
  • SOLUBILITY

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