{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,4,4]],"date-time":"2026-04-04T15:10:34Z","timestamp":1775315434667,"version":"3.50.1"},"reference-count":50,"publisher":"International Union of Crystallography (IUCr)","issue":"2","license":[{"start":{"date-parts":[[2015,3,24]],"date-time":"2015-03-24T00:00:00Z","timestamp":1427155200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2015,3,24]],"date-time":"2015-03-24T00:00:00Z","timestamp":1427155200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci Cryst Eng Mater","Acta Crystallogr B","Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst B Struct Sci Cryst Eng Mater","Acta Cryst Sect B","Acta Cryst Sect B Struct Sci Cryst Eng Mater","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci Cryst Eng Mater","Acta Crystallogr Sect B Struct Sci"],"published-print":{"date-parts":[[2015,4,1]]},"abstract":"<jats:p>Three salts, namely 2-amino-4,6-dimethylpyrimidin-1-ium thiobarbiturate trihydrate (I), 2-amino-4,6-dimethoxypyrimidin-1-ium thiobarbiturate dihydrate (II) and 2,4-diamino-5-(3\u2032,4\u2032,5\u2032-trimethoxybenzyl)pyrimidin-1-ium thiobarbiturate (III), were synthesized and characterized by IR and X-ray diffraction techniques. The primary interaction between the acid and base happens<jats:italic>via<\/jats:italic>N\u2014H...O hydrogen bonds in (II) and (III), and<jats:italic>via<\/jats:italic>water-mediated N\u2014H...O<jats:italic>W<\/jats:italic>and O<jats:italic>W<\/jats:italic>\u2014H<jats:italic>W<\/jats:italic>...S in (I). The water molecules present in compound (I) form a (H<jats:sub>2<\/jats:sub>O)<jats:sub>12<\/jats:sub>water cluster<jats:italic>via<\/jats:italic>water\u2013water interactions. In all three compounds (I)\u2013(III), thiobarbiturate anions form self-complementary pairs with a robust<jats:italic>R<\/jats:italic><jats:sub>2<\/jats:sub><jats:sup>2<\/jats:sup>(8) motif<jats:italic>via<\/jats:italic>a pair of N\u2014H...O\/N\u2014H...S hydrogen bonds. They mimic the nucleobase base pairs by utilizing the same groups (thymine\/uracil uses N3\u2014H and C4=O8 groups during the formation of Watson\u2013Crick and Hoogsteen base pairs with adenine). Compound (I) forms a water-mediated base pair through N\u2014H...O<jats:italic>W<\/jats:italic>hydrogen bonds and forms an<jats:italic>R<\/jats:italic><jats:sub>4<\/jats:sub><jats:sup>2<\/jats:sup>(12) motif. The formation of N\u2014H...S hydrogen bonds, water-mediated base pairs and water\u2013water interactions in these crystal systems offers scope for these systems to be considered as a model in the study of hydration of nucleobases and water-mediated nucleobase base pairs in macromolecules.<\/jats:p>","DOI":"10.1107\/s2052520615001729","type":"journal-article","created":{"date-parts":[[2015,3,24]],"date-time":"2015-03-24T12:21:17Z","timestamp":1427199677000},"page":"144-152","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":1,"title":["Hydrogen bonding patterns in salts of derivatives of aminopyrimidine and thiobarbituric acid"],"prefix":"10.1107","volume":"71","author":[{"given":"Sundaramoorthy","family":"Gomathi","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Jeyaraman Selvaraj","family":"Nirmalram","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Packianathan Thomas","family":"Muthiah","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2015,3,24]]},"reference":[{"key":"zb5044_bb1","doi-asserted-by":"crossref","first-page":"101","DOI":"10.1016\/S0010-8545(00)80253-2","volume":"13","author":"Akbar Ali","year":"1974","journal-title":"Coord. 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