{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,2]],"date-time":"2026-10-02T10:54:29Z","timestamp":1790938469698,"version":"4.1.0"},"reference-count":34,"publisher":"International Union of Crystallography (IUCr)","issue":"9","license":[{"start":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T00:00:00Z","timestamp":1785888000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2026,8,5]],"date-time":"2026-08-05T00:00:00Z","timestamp":1785888000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr C Struct Chem","Acta Crystallogr C","Acta Crystallogr C Cryst Struct Commun","Acta Cryst C","Acta Cryst C Struct Chem","Acta Cryst Sect C","Acta Cryst Sect C Struct Chem","Acta Crystallogr Sect C","Acta Crystallogr Sect C Struct Chem","Acta Crystallogr Sect C Cryst Struct Commun"],"accepted":{"date-parts":[[2026,7,26]]},"published-print":{"date-parts":[[2026,9,1]]},"abstract":"<jats:p>\n                    Three new hydrous molecular salts, namely, 2,4,6-triaminopyrimidin-1-ium anthranilate (2-aminobenzoate) monohydrate, C\n                    <jats:sub>4<\/jats:sub>\n                    H\n                    <jats:sub>8<\/jats:sub>\n                    N\n                    <jats:sub>5<\/jats:sub>\n                    <jats:sup>+<\/jats:sup>\n                    \u00b7C\n                    <jats:sub>7<\/jats:sub>\n                    H\n                    <jats:sub>6<\/jats:sub>\n                    NO\n                    <jats:sub>2<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    \u00b7H\n                    <jats:sub>2<\/jats:sub>\n                    O (I), 2,4,6-triaminopyrimidin-1-ium 5-aminoisophthalate monohydrate, C\n                    <jats:sub>4<\/jats:sub>\n                    H\n                    <jats:sub>8<\/jats:sub>\n                    N\n                    <jats:sub>5<\/jats:sub>\n                    <jats:sup>+<\/jats:sup>\n                    \u00b7C\n                    <jats:sub>8<\/jats:sub>\n                    H\n                    <jats:sub>6<\/jats:sub>\n                    NO\n                    <jats:sub>4<\/jats:sub>\n                    <jats:sup>\u2212<\/jats:sup>\n                    \u00b7H\n                    <jats:sub>2<\/jats:sub>\n                    O (II), and bis(2,4,6-triaminopyrimidin-1-ium) 4-aminophthalate trihydrate, 2C\n                    <jats:sub>4<\/jats:sub>\n                    H\n                    <jats:sub>8<\/jats:sub>\n                    N\n                    <jats:sub>5<\/jats:sub>\n                    <jats:sup>+<\/jats:sup>\n                    \u00b7C\n                    <jats:sub>8<\/jats:sub>\n                    H\n                    <jats:sub>5<\/jats:sub>\n                    NO\n                    <jats:sub>4<\/jats:sub>\n                    <jats:sup>2\u2212<\/jats:sup>\n                    \u00b73H\n                    <jats:sub>2<\/jats:sub>\n                    O (III), have been synthesized and characterized by single-crystal X-ray diffraction techniques. In all three crystal structures, protonation of the pyrimidine moiety occurs at the N1 position and is reflected in a widening of the C\u2014N\u2014C bond angle. In all three cases, protonation of the triaminopyrimidine (TAP) molecule leads to the formation of the robust charge-assisted\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    (8) TAP\u2013carboxylate heterosynthon, which acts as the primary supramolecular building unit. In salt I, TAP base pairing and water-mediated contacts produce tetrameric aggregates and a\n                    <jats:italic>DDDA<\/jats:italic>\n                    (\n                    <jats:italic>D<\/jats:italic>\n                    is donor and\n                    <jats:italic>A<\/jats:italic>\n                    is acceptor) supramolecular array that propagates into a 3D hydrogen-bonded sheet structure. Salt II exhibits a combination of\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    (8),\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>3<\/jats:sub>\n                    <jats:sup>2<\/jats:sup>\n                    (8) and\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sub>2<\/jats:sub>\n                    <jats:sup>4<\/jats:sup>\n                    (8) motifs that fuse to form a continuous hydrogen-bonded chain characterized by a\n                    <jats:italic>DDDAAA<\/jats:italic>\n                    supramolecular array. These chains further assemble into extended sheets which are interconnected by higher-order ring motifs and are reinforced by \u03c0\u2013\u03c0 stacking interactions between the pyrimidine ring and the aromatic anion. The structure of salt III displays the most complex architecture. Multiple hydrogen-bonded arrays, including\n                    <jats:italic>DADA<\/jats:italic>\n                    -type quadruple motifs and large fused-ring motifs, arise through co-operative N\u2014H...O, N\u2014H...N and O\u2014H...O interactions involving the cations, anion and water molecules, resulting in a densely interconnected 3D framework. Hirshfeld surface analysis reveals that H...H contacts dominate the crystal packing, while O...H\/H...O and N...H\/H...N interactions play a crucial role in directing the supramolecular assembly. The study highlights how anion topology and hydration influence hydrogen-bond hierarchy and supramolecular dimensionality in TAP-based salts.\n                  <\/jats:p>","DOI":"10.1107\/s2053229626007655","type":"journal-article","created":{"date-parts":[[2026,7,29]],"date-time":"2026-07-29T08:52:01Z","timestamp":1785315121000},"page":"513-523","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Crystal structures and supramolecular and Hirshfeld surface analysis of three novel 2,4,6-triaminopyrimidine salts"],"prefix":"10.1107","volume":"82","author":[{"given":"Marimuthu","family":"Mohana","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/028ecsj10","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Marimuthu","family":"Sangavi","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/02w7vnb60","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2770-7076","authenticated-orcid":true,"given":"Ray J.","family":"Butcher","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00cvxb145","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,8,5]]},"reference":[{"key":"ef3075_bb1","doi-asserted-by":"crossref","first-page":"115701","DOI":"10.1016\/j.ejmech.2023.115701","volume":"259","author":"Ahmed","year":"2023","journal-title":"Eur. 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