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6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)
- Source :
- IUCrData, Vol 2, Iss 6, p x170829 (2017)
- Publication Year :
- 2017
- Publisher :
- International Union of Crystallography, 2017.
-
Abstract
- In the title molecular salt, C5H9N4+·C13H10NO2−·C5H8N4, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilinobenzoate anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecule. The typical intramolecular N...H—O hydrogen bond is observed in the 2-anilinobenzoate anion. In the crystal, the protonated N atom and the 3-amino group are hydrogen bonded to the carboxylate oxygen atomsviaa pair of N—H...O hydrogen bonds, forming anR22(8) ring motif. These motifs are further linked with adjacent neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecules by N—H...O and N—H...N hydrogen bonds to produce centrosymmetric six-membered units, enclosingR22(8) andR34(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up theb-axis direction.
- Subjects :
- chemistry.chemical_classification
crystal structure
benzoate
Hydrogen
Hydrogen bond
Low-barrier hydrogen bond
Salt (chemistry)
chemistry.chemical_element
Protonation
Crystal structure
010402 general chemistry
010403 inorganic & nuclear chemistry
Ring (chemistry)
hydrogen bonding
01 natural sciences
Medicinal chemistry
0104 chemical sciences
chemistry.chemical_compound
chemistry
1,2,4-triazinium
lcsh:QD901-999
Organic chemistry
1,2,4-triazine
lcsh:Crystallography
Triazine
Subjects
Details
- Language :
- English
- ISSN :
- 24143146
- Volume :
- 2
- Issue :
- 6
- Database :
- OpenAIRE
- Journal :
- IUCrData
- Accession number :
- edsair.doi.dedup.....3fa6fa5deeac5035cfd93df04dc78058