6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)
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-anil...
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Main Authors: | , , , |
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Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2017
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Subjects: | |
Online Access: | http://eprints.usm.my/37971/1/6-Amino-3%2C4-dimethyl-1%2C2%2C4-triazin-1-ium.pdf http://eprints.usm.my/37971/ https://doi.org/10.1107/S241431461700829X |
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Institution: | Universiti Sains Malaysia |
Language: | English |
Summary: | 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 atoms via a pair of N—
H...O hydrogen bonds, forming an R2/2 (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 sixmembered units, enclosing R2/2(8) and R3/4(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up the b-axis direction. |
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