Crystal structure of 2,4,6-triamino-1,3,5-triazin-4-methoxybenzoate — water (1:2), [C₃H₇N₆][CH₃OC₆H₄COO] · 2H₂O

Abstract

Source of materialAmixture of 4-methoxybenzoic acid (0.128 g, 0.84 mmol), melamine (0.026 g, 0.20 mmol), NaOH (0.02 g, 0.5 mmol) and distilled water (10 ml) was sealed in a25mlTeflon-lined stainless autoclave. The mixture was heated at 413 Kfor 4days, and then slowly cooled down to room temperature. Colorless stick-shaped crystals suitable for X-ray diffraction analysis were obtained. Experimental details DiscussionThe significance of hydrogen bonding is well recognized in crystal engineering [1,2]. The hydrogen bonds N-H···Oand N-H···N have been used in the design of anumber of supramolecular nano architectures, layers, rods, tapes, tubes, and spheres [3,4]. The melamine molecule has multiple hydrogen-bonded sites and is known to form hydrogen-bonded supramolecular architectures [5,6]. Aromatic carboxylate as multidentate O-donor ligands have been extensively employed in the preparation of supramolecular complexes because of their potential properties and intriguing structural feature [7,8]. The crystal structure of the title compound consists of amonoprotonated melaminium cation, a4-methoxy benzoate anion and water molecules ( figure, top). The components are linked by hydrogen bonds into at hree-dimensional framework structure ( figure, bottom). There are several kinds of hydrogen bonding present in the structure: (a) hydrogen bonding between water molecules and melamine nitrogen atoms with N···Odistances of 2.952 Å,2 .908 Å and 2.942 Å;( b) hydrogen bonding of carboxylate molecules and melaine hydrogen atoms with N···O distances of 2.694 Å and 2.897 Å;(c) hydrogen bonding of melamine hydrogen atoms/melamine nitrogen atoms with N···Ndis-tances of 3.064 Å and 3.057 Å;(d) hydrogen bonds between water molecules and carboxylate oxygen atoms with an O···Odistances of 2.761 Å,2.881 Å and 2.665 Å;(e) hydrogen bonds of water hydrogen atoms/water oxygen atoms with adistance 2.840 Å.These hydrogen bonds contribute to the stability of the threedimensional framework.