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

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Title Crystal structure of dimethyl ammonium 5-(2,4-dinitrophenyl)-1,3-dimethyl barbiturate
 
Creator Bhavya, M
Malarvizhi, R
 
Subject N,N-Dimethyl amine
1-chloro-2,4-dinitrobenzene
1,3-dimethylbarbituric acid
NMR spectral analysis
Single crystal diffraction
 
Description 65-71
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, 13CNMR,
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.
 
Date 2023-02-09T10:20:55Z
2023-02-09T10:20:55Z
2023-01
 
Type Article
 
Identifier 2583-1321 (Online); 0019-5103 (Print)
http://nopr.niscpr.res.in/handle/123456789/61373
https://doi.org/10.56042/ijc.v62i1.70396
 
Language en
 
Publisher NIScPR-CSIR, India
 
Source IJC Vol.62(01) [Jan 2023]