Crystal structure of 4-[(2-hvdroxy-3-methoxybenzyl)amino]benzoic acid hemihydrate

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Kamaal S., Faizi M. S. H., Ali A., Ahmad M., Gupta M., DEGE N., ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.75, pp.159-167, 2019 (ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 75
  • Publication Date: 2019
  • Doi Number: 10.1107/s2056989018018455
  • Journal Indexes: Emerging Sources Citation Index (ESCI), Scopus
  • Page Numbers: pp.159-167
  • Keywords: crystal structure, 2-hydroxy-3-methoxy-benzaldehyde, 4-aminobenzoic acid (PABA), secondary amine, hydrogen bonding, vanillin
  • Ondokuz Mayıs University Affiliated: Yes


In the crystal of the title vanilline derivative, 2C(15)H(15)NO(4)center dot H2O, the secondary amine molecule is accompanied by half equivalent of water. The molecule is non-planar, with torsion angle C-aryl-CH2-NH-C-aryl of -83.9 (2)degrees. In the crystal, the system of O-H center dot center dot center dot O hydrogen bonds, including bridging water molecules residing on crystallographic twofold axes, results in a two-dimensional layered structure. Within the layers, there are also weak N-H center dot center dot center dot pi interactions involving the vanilline benzene ring.