{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,8,7]],"date-time":"2026-08-07T15:58:35Z","timestamp":1786118315167,"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":[[2026,7,4]]},"published-print":{"date-parts":[[2026,8,1]]},"abstract":"<jats:p>\n                    The title compound, C\n                    <jats:sub>17<\/jats:sub>\n                    H\n                    <jats:sub>18<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    O\n                    <jats:sub>4<\/jats:sub>\n                    , consists of almost planar isatin and triazole rings inclined by 78.47\u2005(5)\u00b0, as well as a butyl acetate moiety bonded to the N atom of the triazole ring. In the crystal, molecules link into a semicolon shape along the\n                    <jats:italic>b<\/jats:italic>\n                    -axis direction through bifurcated C\u2014H...O hydrogen bonds. Aromatic \u03c0\u2013\u03c0 and C\u2014H...\u03c0(ring) interactions also help to consolidate the crystal packing. The Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (40.6%), H...O\/O...H (26.6%), H...N\/N...H (13.8%) and H...C\/C...H (8.9%) interactions. The volume of the crystal voids and the percentage of free space in the unit cell were calculated to be 82.1\u2005\u00c5\n                    <jats:sup>3<\/jats:sup>\n                    and 10.0%, respectively, showing that there is no large cavity in the crystal packing. Computational methods revealed C\u2014H...O hydrogen-bonding energy of \u221211.6\u2005kJ\u2005mol\n                    <jats:sup>\u22121<\/jats:sup>\n                    . The evaluation of the electrostatic, dispersion and total energy frameworks indicates that the stabilization is dominated\n                    <jats:italic>via<\/jats:italic>\n                    the dispersion energy contributions in the crystal structure.\n                  <\/jats:p>","DOI":"10.1107\/s2056989026006985","type":"journal-article","created":{"date-parts":[[2026,7,7]],"date-time":"2026-07-07T11:44:53Z","timestamp":1783424693000},"page":"913-918","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, structure and energy calculations of 4-{4-[(2,3-dioxoindol-1-yl)methyl]-1\n                    <i>H<\/i>\n                    -1,2,3-triazol-1-yl}butyl acetate"],"prefix":"10.1107","volume":"82","author":[{"given":"Sanaa","family":"Sabir","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00r8w8f84","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Nour El Hoda","family":"Mustaphi","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00r8w8f84","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Daouda","family":"Ballo","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9857-4042","authenticated-orcid":true,"given":"Olivier","family":"Blacque","sequence":"additional","affiliation":[],"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"}]},{"ORCID":"https:\/\/orcid.org\/0009-0007-6434-6093","authenticated-orcid":true,"given":"Nada Kheira","family":"Sebbar","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00r8w8f84","id-type":"ROR","asserted-by":"publisher"}]}],"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\/yy2022\/yy2022.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/e\/issues\/2026\/08\/00\/yy2022\/yy2022.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,8,6]],"date-time":"2026-08-06T15:46:21Z","timestamp":1786031181000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2056989026006985"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,7,16]]},"references-count":0,"journal-issue":{"issue":"8","published-online":{"date-parts":[[2026,8]]}},"alternative-id":["S2056989026006985"],"URL":"https:\/\/doi.org\/10.1107\/s2056989026006985","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2056989026006985\/yy2022sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026006985\/yy2022Isup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026006985\/yy2022Isup3.cdx","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026006985\/yy2022Isup4.cml","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?yy2022","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":"12 May 2026","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"4 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?yy2022"}},{"value":"\u00a9 2026 Sabir\n                      et al.","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"}}]}}