Crystal structure of dimethyl ammonium 5-(2, 4-dinitrophenyl)-1,3-dimethyl barbiturate

Abstract

The titled molecular salt dimethyl ammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl barbiturate has been prepared from the ethanolic solution of 1-chloro-2,4-dinitrobenzene, 1,3-dimethylbarbituric acid and dimethyl amine. FT-IR, ¹H-NMR, ¹³C-NMR, and single crystal diffraction results support the proposed structure of the compound. The crystal structure of the titled complex [monoclinic, space group p21/n, a=11.5729 (15)Å, b=8.6857(11) Å, c=16.701(2) Å, Z=4] are analyzed by single-crystal X-ray diffraction. In this crystal, intermolecular N-H…O and C-H…O hydrogen bonds forming a three dimensional network and small red spot in Hirshfeld surfaces indicates the presence of C-H...π interactions.