{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,7]],"date-time":"2026-08-07T15:59:50Z","timestamp":1786118390300,"version":"build-2736575974"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"8","license":[{"start":{"date-parts":[[2026,7,16]],"date-time":"2026-07-16T00:00:00Z","timestamp":1784160000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,7,16]],"date-time":"2026-07-16T00:00:00Z","timestamp":1784160000000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/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"],"accepted":{"date-parts":[[2026,7,14]]},"published-print":{"date-parts":[[2026,8,1]]},"abstract":"<jats:p>\n                    The title compound, C\n                    <jats:sub>13<\/jats:sub>\n                    H\n                    <jats:sub>14<\/jats:sub>\n                    Cl\n                    <jats:sub>2<\/jats:sub>\n                    N\n                    <jats:sub>2<\/jats:sub>\n                    S, consists of dichlorophenyl and dihydropyrimidinethione rings, where the pyrimidine ring is in a flattened-boat conformation. In the crystal, N\u2014H...S hydrogen bonds link the molecules, enclosing\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sup>2<\/jats:sup>\n                    <jats:sub>2<\/jats:sub>\n                    (8) ring motifs, into centrosymmetric dimers. Neither \u03c0\u2013\u03c0 stacking nor C\u2014H...\u03c0(ring) interactions are observed. Hirshfeld surface analysis revealed that the most important contributions for crystal packing are from H...H (40.8%), H...Cl\/Cl...H (28.7%) and H...S\/S...H (15.5%) interactions. The volume of the crystal voids and the percentage of free space were calculated to be 135.01\u2005\u00c5\n                    <jats:sup>3<\/jats:sup>\n                    and 17.99%, showing the crystal packing is not compact. Computational methods indicated an N\u2014H...S hydrogen-bonding energy of \u221258.2\u2005kJ\u2005mol\n                    <jats:sup>\u22121<\/jats:sup>\n                    . Evaluations of the electrostatic, dispersion and total energy frameworks indicate that the crystal cohesion is dominated by electrostatic energy contributions.\n                  <\/jats:p>","DOI":"10.1107\/s2056989026007231","type":"journal-article","created":{"date-parts":[[2026,7,16]],"date-time":"2026-07-16T13:18:32Z","timestamp":1784207912000},"page":"937-941","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, crystal structure and Hirshfeld surface analysis of 1-(3,4-dichlorophenyl)-4,4,6-trimethyl-3,4-dihydropyrimidine-2(1\n                    <i>H<\/i>\n                    )-thione"],"prefix":"10.1107","volume":"82","author":[{"given":"Sharatha","family":"Kumar","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/029zfa075","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8602-4382","authenticated-orcid":true,"given":"Tuncer","family":"H\u00f6kelek","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,7,16]]},"container-title":["Acta Crystallographica Section E Crystallographic Communications"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/e\/issues\/2026\/08\/00\/ny2020\/ny2020.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/e\/issues\/2026\/08\/00\/ny2020\/ny2020.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,6]],"date-time":"2026-08-06T15:46:26Z","timestamp":1786031186000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2056989026007231"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,7,16]]},"references-count":0,"journal-issue":{"issue":"8","published-online":{"date-parts":[[2026,8]]}},"alternative-id":["S2056989026007231"],"URL":"https:\/\/doi.org\/10.1107\/s2056989026007231","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2056989026007231\/ny2020sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026007231\/ny2020Isup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026007231\/ny2020sup3.pdf","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026007231\/ny2020sup4.pdf","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026007231\/ny2020sup5.pdf","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026007231\/ny2020sup6.pdf","asserted-by":"subject"}]},"ISSN":["2056-9890"],"issn-type":[{"value":"2056-9890","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,7,16]]},"assertion":[{"value":"Acta Crystallographica Section E: Crystallographic Communications","order":0,"name":"journal","label":"Publication","explanation":{"URL":"https:\/\/journals.iucr.org\/e"},"group":{"name":"general","label":"General"}},{"value":"research communications","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/e\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"https:\/\/scripts.iucr.org\/cgi-bin\/citedin?ny2020","order":2,"name":"article_metrics","label":"Article metrics","group":{"name":"general","label":"General"}},{"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":"16 June 2026","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"14 July 2026","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"16 July 2026","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":"https:\/\/scripts.iucr.org\/cgi-bin\/sendsup?ny2020"}},{"value":"\u00a9 2026 Kumar and H\u00f6kelek","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"https:\/\/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":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},"group":{"name":"copyright_and_licencing","label":"Copyright and licencing"}}]}}