{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,7]],"date-time":"2026-09-07T12:07:35Z","timestamp":1788782855769,"version":"build-2803163510"},"reference-count":35,"publisher":"International Union of Crystallography (IUCr)","issue":"9","license":[{"start":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T00:00:00Z","timestamp":1787184000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,8,20]],"date-time":"2026-08-20T00:00:00Z","timestamp":1787184000000},"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":[[2026,8,12]]},"published-print":{"date-parts":[[2026,9,1]]},"abstract":"<jats:p>\n                    The title compound, C\n                    <jats:sub>9<\/jats:sub>\n                    H\n                    <jats:sub>9<\/jats:sub>\n                    ClN\n                    <jats:sub>2<\/jats:sub>\n                    OS, consists of a chlorophenyl ring and acetyl moiety bridged over a thiourea functional group. The dihedral angle between the acetyl group and the planar thiourea group is 1.9\u2005(5)\u00b0, and they are oriented at dihedral angles of 57.9\u2005(5) and 59.77\u2005(16)\u00b0, respectively, with respect to the phenyl ring. An intramolecular N\u2014H...O hydrogen bond forms an\n                    <jats:italic>S<\/jats:italic>\n                    (6) ring motif. In the crystal, N\u2014H...S and N\u2014H...O 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) and\n                    <jats:italic>R<\/jats:italic>\n                    <jats:sup>2<\/jats:sup>\n                    <jats:sub>2<\/jats:sub>\n                    (12) ring motifs, into infinite chains along the\n                    <jats:italic>a<\/jats:italic>\n                    -axis direction. Hirshfeld surface analysis revealed that the most important contributions for crystal packing are H...H (31.1%), H...Cl\/Cl...H (16.9%), H...S\/S...H (14.4%), H...C\/C...H (12.9%) and H...O\/O...H (9.4%) interactions. Computational methods revealed N\u2014H...S and N\u2014H...O hydrogen-bonding energies of \u221213.8 and \u221210.1\u2005kJ\u2005mol\n                    <jats:sup>\u22121<\/jats:sup>\n                    , respectively. Evaluations of the electrostatic, dispersion and total energy frameworks indicate that the crystal stabilization is dominated by dispersion energy contributions.\n                  <\/jats:p>","DOI":"10.1107\/s2056989026008315","type":"journal-article","created":{"date-parts":[[2026,8,13]],"date-time":"2026-08-13T11:21:00Z","timestamp":1786620060000},"page":"1066-1070","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, structure and computational study of\n                    <i>N<\/i>\n                    -acetyl\n                    <i>-N<\/i>\n                    \u2032-(4-chlorophenyl)thiourea"],"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":[[2026,8,20]]},"reference":[{"key":"ny2021_bb1","first-page":"2S1","author":"Allen","year":"1987","journal-title":"J. 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