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-anili...
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doaj-47acd481ed704427ae1b74ebeae961f42020-11-24T21:12:09ZengInternational Union of CrystallographyIUCrData2414-31462017-06-0126x17082910.1107/S241431461700829Xsu41536-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)Ramalingam Sangeetha0Kasthuri Balasubramani1Kaliyaperumal Thanigaimani2Ibrahim Abdul Razak3Department of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu, IndiaDepartment of Chemistry, Government Arts College (Autonomous), Thanthonimalai, Karur 639 005, Tamil Nadu, IndiaDepartment of Chemistry, Government Arts College, Thiruchirappalli 620 022, Tamilnadu, IndiaSchool of Physics, Universiti Sains Malaysia, 11800 USM, Penang, MalaysiaIn 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 R22 (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, enclosing R22(8) and R34(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up the b-axis direction.http://scripts.iucr.org/cgi-bin/paper?S241431461700829Xcrystal structure1,2,4-triazine1,2,4-triaziniumbenzoatehydrogen bonding |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Ramalingam Sangeetha Kasthuri Balasubramani Kaliyaperumal Thanigaimani Ibrahim Abdul Razak |
spellingShingle |
Ramalingam Sangeetha Kasthuri Balasubramani Kaliyaperumal Thanigaimani Ibrahim Abdul Razak 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) IUCrData crystal structure 1,2,4-triazine 1,2,4-triazinium benzoate hydrogen bonding |
author_facet |
Ramalingam Sangeetha Kasthuri Balasubramani Kaliyaperumal Thanigaimani Ibrahim Abdul Razak |
author_sort |
Ramalingam Sangeetha |
title |
6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
title_short |
6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
title_full |
6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
title_fullStr |
6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
title_full_unstemmed |
6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
title_sort |
6-amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
publisher |
International Union of Crystallography |
series |
IUCrData |
issn |
2414-3146 |
publishDate |
2017-06-01 |
description |
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 R22 (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, enclosing R22(8) and R34(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up the b-axis direction. |
topic |
crystal structure 1,2,4-triazine 1,2,4-triazinium benzoate hydrogen bonding |
url |
http://scripts.iucr.org/cgi-bin/paper?S241431461700829X |
work_keys_str_mv |
AT ramalingamsangeetha 6amino34dimethyl124triazin1ium2anilinobenzoate3amino56dimethyl124triazine11 AT kasthuribalasubramani 6amino34dimethyl124triazin1ium2anilinobenzoate3amino56dimethyl124triazine11 AT kaliyaperumalthanigaimani 6amino34dimethyl124triazin1ium2anilinobenzoate3amino56dimethyl124triazine11 AT ibrahimabdulrazak 6amino34dimethyl124triazin1ium2anilinobenzoate3amino56dimethyl124triazine11 |
_version_ |
1716751359698534400 |