{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,1,14]],"date-time":"2025-01-14T08:49:25Z","timestamp":1736844565086,"version":"3.33.0"},"reference-count":16,"publisher":"International Union of Crystallography (IUCr)","issue":"1","license":[{"start":{"date-parts":[[2015,1,1]],"date-time":"2015-01-01T00:00:00Z","timestamp":1420070400000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"},{"start":{"date-parts":[[2015,1,1]],"date-time":"2015-01-01T00:00:00Z","timestamp":1420070400000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr E Cryst Commun","Acta Cryst E","Acta Cryst Sect E","Acta Crystallogr E","Acta Crystallogr Sect E","Acta Cryst E Cryst Commun","Acta Cryst Sect E Cryst Commun"],"published-print":{"date-parts":[[2015,1,1]]},"abstract":"<jats:p>In the title compound, C<jats:sub>10<\/jats:sub>H<jats:sub>16<\/jats:sub>N<jats:sub>2<\/jats:sub>O<jats:sub>9<\/jats:sub>S<jats:sub>3<\/jats:sub>, the pyrimidine ring of the 1,3-dimethyl barbituric acid moiety has an envelope conformation with the C atom carrying the methylsulfonyl and bis(methylsulfonyl)methyl substituents as the flap. The dihedral angle between mean plane of the pyrimidine ring and the S\/C\/S plane is 72.4\u2005(3)\u00b0. In the crystal, molecules are linked<jats:italic>via<\/jats:italic>C\u2014H...O hydrogen bonds, forming a three-dimensional structure.<\/jats:p>","DOI":"10.1107\/s2056989014027455","type":"journal-article","created":{"date-parts":[[2014,12,19]],"date-time":"2014-12-19T11:45:29Z","timestamp":1418989529000},"page":"o58-o59","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Crystal structure of 5-[bis(methylsulfonyl)methyl]-1,3-dimethyl-5-(methylsulfonyl)pyrimidine-2,4,6(1<i>H<\/i>,3<i>H<\/i>,5<i>H<\/i>)-trione"],"prefix":"10.1107","volume":"71","author":[{"given":"Eyad","family":"Mallah","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ahmed","family":"Al-Sheikh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kamal","family":"Sweidan","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Wael","family":"Abu Dayyih","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Manfred","family":"Steimann","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2015,1,1]]},"reference":[{"key":"su5040_bb1","doi-asserted-by":"crossref","first-page":"307","DOI":"10.1515\/znb-2009-0309","volume":"64","author":"Al-Sheikh","year":"2009","journal-title":"Z. Naturforsch. Teil B"},{"key":"su5040_bb2","doi-asserted-by":"crossref","first-page":"o877","DOI":"10.1107\/S1600536814016201","volume":"70","author":"Awad","year":"2014","journal-title":"Acta Cryst. E"},{"key":"su5040_bb3","unstructured":"Demeunynck, M., Bailly, C. & David Wilson, W. (2004). In Small Molecule DNA and RNA Binders: From Synthesis to Nucleic Acid Complexes. Weinheim: Wiley-VCH Verlag GmbH & Co. KGaA."},{"key":"su5040_bb4","first-page":"83","volume":"15","author":"Getova","year":"1989","journal-title":"Acta Physiol. Pharmacol. Bulg."},{"key":"su5040_bb5","doi-asserted-by":"crossref","first-page":"1648","DOI":"10.1107\/S0108270195002095","volume":"51","author":"Glidewell","year":"1995","journal-title":"Acta Cryst. C"},{"key":"su5040_bb6","doi-asserted-by":"crossref","first-page":"287","DOI":"10.1007\/BF03246226","volume":"8","author":"Habibi","year":"2011","journal-title":"J. Iran. Chem. Soc."},{"key":"su5040_bb7","doi-asserted-by":"crossref","first-page":"2023","DOI":"10.1007\/s00018-007-7021-2","volume":"64","author":"Holtkamp","year":"2007","journal-title":"Cell. Mol. Life Sci."},{"key":"su5040_bb8","doi-asserted-by":"crossref","first-page":"967","DOI":"10.1055\/s-1986-31842","author":"Huang","year":"1986","journal-title":"Synthesis"},{"key":"su5040_bb9","doi-asserted-by":"crossref","first-page":"1039","DOI":"10.1016\/j.bmcl.2004.12.034","volume":"15","author":"Kotha","year":"2005","journal-title":"Bioorg. Med. Chem. Lett."},{"key":"su5040_bb10","unstructured":""},{"key":"su5040_bb11","doi-asserted-by":"crossref","first-page":"466","DOI":"10.1107\/S0021889807067908","volume":"41","author":"Macrae","year":"2008","journal-title":"J. Appl. Cryst."},{"key":"su5040_bb12","doi-asserted-by":"crossref","first-page":"112","DOI":"10.1107\/S0108767307043930","volume":"64","author":"Sheldrick","year":"2008","journal-title":"Acta Cryst. A"},{"key":"su5040_bb13","doi-asserted-by":"crossref","first-page":"148","DOI":"10.1107\/S090744490804362X","volume":"65","author":"Spek","year":"2009","journal-title":"Acta Cryst. D"},{"key":"su5040_bb14","unstructured":"Stoe & Cie (2008). X-AREA and X-RED32. Stoe & Cie, Darmstadt, Germany."},{"key":"su5040_bb15","doi-asserted-by":"crossref","first-page":"106","DOI":"10.1515\/znb-2009-0114","volume":"64","author":"Sweidan","year":"2009","journal-title":"Z. Naturforsch. Teil B"},{"key":"su5040_bb16","doi-asserted-by":"crossref","first-page":"317","DOI":"10.1055\/s-1989-27241","author":"Ye","year":"1989","journal-title":"Synthesis"}],"container-title":["Acta Crystallographica Section E Crystallographic Communications"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/e\/issues\/2015\/01\/00\/su5040\/su5040.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/e\/issues\/2015\/01\/00\/su5040\/su5040.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,13]],"date-time":"2025-01-13T10:07:35Z","timestamp":1736762855000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2056989014027455"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2015,1,1]]},"references-count":16,"journal-issue":{"issue":"1","published-online":{"date-parts":[[2015,1]]}},"alternative-id":["S2056989014027455"],"URL":"https:\/\/doi.org\/10.1107\/s2056989014027455","relation":{},"ISSN":["2056-9890"],"issn-type":[{"type":"electronic","value":"2056-9890"}],"subject":[],"published":{"date-parts":[[2015,1,1]]},"assertion":[{"value":"Acta Crystallographica Section E: Crystallographic Communications","name":"journal","label":"Journal","explanation":{"URL":"http:\/\/journals.iucr.org\/e"}},{"value":"data reports","name":"content_type","label":"Content type","explanation":{"URL":"http:\/\/journals.iucr.org\/e\/issues\/2011\/01\/00\/me0439\/index.html"}},{"value":"Yes","order":0,"name":"peer_reviewed","label":"Peer reviewed","group":{"name":"peer_review","label":"Peer review"}},{"value":"Single blind","order":1,"name":"review_process","label":"Review process","group":{"name":"peer_review","label":"Peer review"}},{"value":"8 December 2014","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"16 December 2014","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"1 January 2015","order":2,"name":"published_online","label":"Published online","group":{"name":"publication_history","label":"Publication history"}},{"value":"This article has supporting information","name":"supplementary_materials","label":"Supplementary materials","explanation":{"URL":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?su5040"}},{"value":"\u00a9 2015 Mallahet al.","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}},{"value":"Creative Commons Attribution (CC-BY)","order":1,"name":"license","label":"Licence","explanation":{"URL":"http:\/\/creativecommons.org\/licenses\/by\/2.0\/uk\/legalcode"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}