{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T06:18:08Z","timestamp":1788329888970,"version":"build-2803163510"},"reference-count":25,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2026,5,15]],"date-time":"2026-05-15T00:00:00Z","timestamp":1778803200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,5,15]],"date-time":"2026-05-15T00:00:00Z","timestamp":1778803200000},"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":[[2026,5,5]]},"published-print":{"date-parts":[[2026,6,1]]},"abstract":"<jats:p>\n                    The thiazine ring in the title molecule, C\n                    <jats:sub>23<\/jats:sub>\n                    H\n                    <jats:sub>19<\/jats:sub>\n                    NOS, exhibits a screw-boat conformation and is significantly folded along the S...N axis. In the extended structure, aided by C\u2014H...\u03c0(ring) interactions, the molecules pack in wave-like layers parallel to the\n                    <jats:italic>bc<\/jats:italic>\n                    plane. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H...H (50.3%) and H...C\/C...H (35.9%) interactions. An evaluation of the electrostatic, dispersion and total energy frameworks in the crystal structure indicates that dispersion energy contribution dominates.\n                  <\/jats:p>","DOI":"10.1107\/s2056989026004664","type":"journal-article","created":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T13:48:53Z","timestamp":1778593733000},"page":"665-669","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Crystal structure and Hirshfeld surface analyses, interaction energy calculations and energy frameworks of (\n                    <i>Z<\/i>\n                    )-4-benzyl-2-(4-methylbenzylidene)-2\n                    <i>H<\/i>\n                    -[1,4]benzothiazin-3(4\n                    <i>H<\/i>\n                    )-one"],"prefix":"10.1107","volume":"82","author":[{"given":"Brahim","family":"Hni","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00r8w8f84","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Noureddine","family":"Hamou Ahabchane","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00r8w8f84","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0009-0000-2949-8437","authenticated-orcid":true,"given":"Daouda","family":"Ballo","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\/0000-0003-3488-1945","authenticated-orcid":true,"given":"Joel T.","family":"Mague","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"El Mokhtar","family":"Essassi","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00r8w8f84","id-type":"ROR","asserted-by":"publisher"}]}],"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":[[2026,5,15]]},"reference":[{"key":"wm5798_bb1","unstructured":"Brandenburg, K. & Putz, H. (2012). DIAMOND. Crystal Impact GbR, Bonn, Germany."},{"key":"wm5798_bb2","unstructured":"Bruker (2016). APEX3 and SAINT. Madison, Wisconsin, USA."},{"key":"wm5798_bb3","doi-asserted-by":"crossref","first-page":"1354","DOI":"10.1021\/ja00839a011","volume":"97","author":"Cremer","year":"1975","journal-title":"J. Am. Chem. Soc."},{"key":"wm5798_bb4","first-page":"2806","volume":"7","author":"Ellouz","year":"2016","journal-title":"J. Mater. Environm. Sci."},{"key":"wm5798_bb5","doi-asserted-by":"crossref","first-page":"171","DOI":"10.1107\/S2052520616003954","volume":"72","author":"Groom","year":"2016","journal-title":"Acta Cryst. B"},{"key":"wm5798_bb6","doi-asserted-by":"crossref","first-page":"19","DOI":"10.1016\/S0022-1139(00)85084-8","volume":"31","author":"Gupta","year":"1986","journal-title":"J. Fluor. Chem."},{"key":"wm5798_bb7","doi-asserted-by":"crossref","first-page":"372","DOI":"10.1107\/S2056989019002354","volume":"75","author":"Hni","year":"2019","journal-title":"Acta Cryst. E"},{"key":"wm5798_bb8","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S1600576714022985","volume":"48","author":"Krause","year":"2015","journal-title":"J. Appl. Cryst."},{"key":"wm5798_bb9","first-page":"57","volume":"4","author":"Malagu","year":"1998","journal-title":"Pharm. Pharmacol. Commun."},{"key":"wm5798_bb10","doi-asserted-by":"crossref","first-page":"1836","DOI":"10.5012\/bkcs.2002.23.12.1836","volume":"23","author":"Park","year":"2002","journal-title":"Bull. Korean Chem. Soc."},{"key":"wm5798_bb11","doi-asserted-by":"crossref","first-page":"249","DOI":"10.1107\/S2052519213010014","volume":"69","author":"Parsons","year":"2013","journal-title":"Acta Cryst. B"},{"key":"wm5798_bb12","doi-asserted-by":"crossref","first-page":"5678","DOI":"10.1016\/j.bmc.2006.04.009","volume":"14","author":"Rathore","year":"2006","journal-title":"Bioorg. Med. Chem."},{"key":"wm5798_bb13","doi-asserted-by":"crossref","first-page":"629","DOI":"10.1107\/S2056989020004119","volume":"76","author":"Sebbar","year":"2020","journal-title":"Acta Cryst. E"},{"key":"wm5798_bb14","doi-asserted-by":"crossref","first-page":"o686","DOI":"10.1107\/S160053681401054X","volume":"70","author":"Sebbar","year":"2014","journal-title":"Acta Cryst. E"},{"key":"wm5798_bb15","unstructured":"Sebbar, N. K., Ellouz, M., Mague, J. T., Ouzidan, Y., Essassi, E. M. & Zouihri, H. (2016a). IUCrData 1, x160863."},{"key":"wm5798_bb16","doi-asserted-by":"crossref","first-page":"1650","DOI":"10.1107\/S2056989019013586","volume":"75","author":"Sebbar","year":"2019","journal-title":"Acta Cryst. E"},{"key":"wm5798_bb17","doi-asserted-by":"crossref","first-page":"6845","DOI":"10.1007\/s11164-016-2499-6","volume":"42","author":"Sebbar","year":"2016","journal-title":"Res. Chem. Intermed."},{"key":"wm5798_bb18","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053273314026370","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Cryst. A"},{"key":"wm5798_bb19","doi-asserted-by":"crossref","first-page":"3","DOI":"10.1107\/S2053229614024218","volume":"71","author":"Sheldrick","year":"2015","journal-title":"Acta Cryst. C"},{"key":"wm5798_bb20","doi-asserted-by":"crossref","first-page":"1006","DOI":"10.1107\/S1600576721002910","volume":"54","author":"Spackman","year":"2021","journal-title":"J. Appl. Cryst."},{"key":"wm5798_bb21","doi-asserted-by":"crossref","first-page":"788","DOI":"10.1271\/bbb.58.788","volume":"58","author":"Takemoto","year":"1994","journal-title":"Biosci. Biotechnol. Biochem."},{"key":"wm5798_bb22","doi-asserted-by":"crossref","first-page":"1238","DOI":"10.1248\/cpb.38.1238","volume":"38","author":"Tawada","year":"1990","journal-title":"Chem. Pharm. Bull."},{"key":"wm5798_bb23","doi-asserted-by":"crossref","first-page":"411","DOI":"10.1016\/0223-5234(87)90028-6","volume":"22","author":"Warren","year":"1987","journal-title":"Eur. J. Med. Chem."},{"key":"wm5798_bb24","doi-asserted-by":"crossref","first-page":"920","DOI":"10.1107\/S0021889810022120","volume":"43","author":"Westrip","year":"2010","journal-title":"J. Appl. Cryst."},{"key":"wm5798_bb25","doi-asserted-by":"crossref","first-page":"1311","DOI":"10.1016\/j.ejmech.2008.08.002","volume":"44","author":"Zia-ur-Rehman","year":"2009","journal-title":"Eur. J. Med. Chem."}],"container-title":["Acta Crystallographica Section E Crystallographic Communications"],"original-title":[],"link":[{"URL":"https:\/\/journals.iucr.org\/e\/issues\/2026\/06\/00\/wm5798\/wm5798.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/journals.iucr.org\/e\/issues\/2026\/06\/00\/wm5798\/wm5798.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T06:04:58Z","timestamp":1788329098000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S2056989026004664"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,5,15]]},"references-count":25,"journal-issue":{"issue":"6","published-online":{"date-parts":[[2026,6]]}},"alternative-id":["S2056989026004664"],"URL":"https:\/\/doi.org\/10.1107\/s2056989026004664","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S2056989026004664\/wm5798sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026004664\/wm5798Isup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026004664\/wm5798Isup3.cdx","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S2056989026004664\/wm5798Isup4.cml","asserted-by":"subject"}]},"ISSN":["2056-9890"],"issn-type":[{"value":"2056-9890","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,5,15]]},"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?wm5798","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 April 2026","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"5 May 2026","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"15 May 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?wm5798"}},{"value":"\u00a9 2026 Hni\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"}}]}}