{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,4,1]],"date-time":"2025-04-01T04:05:32Z","timestamp":1743480332812,"version":"3.40.3"},"reference-count":23,"publisher":"International Union of Crystallography (IUCr)","issue":"3","license":[{"start":{"date-parts":[[2025,2,14]],"date-time":"2025-02-14T00:00:00Z","timestamp":1739491200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2025,2,14]],"date-time":"2025-02-14T00:00:00Z","timestamp":1739491200000},"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":[[2025,2,8]]},"published-print":{"date-parts":[[2025,3,1]]},"abstract":"<jats:p>The title compound, C<jats:sub>11<\/jats:sub>H<jats:sub>6<\/jats:sub>N<jats:sub>3<\/jats:sub>SSe<jats:sup>+<\/jats:sup>\u00b7Cl<jats:sup>\u2212<\/jats:sup>, produced by the reaction between 3,4-dicyanothiophene and 2-pyridylselenyl chloride was isolated as a salt that crystallizes in the triclinic space group <jats:italic>P<\/jats:italic>\n                  <jats:overline>1<\/jats:overline>. Notable features include strong chalcogen interactions (Se...Cl and Se...S), as revealed through Hirshfeld surface analysis, which also highlights significant contributions from N...H\/H...N, C...H\/H...C and H...H contacts in the crystal packing. Supramolecular interactions were further analysed using density functional theory (DFT) and quantum theory of atoms in molecules (QTAIM) at the \u03c9B97XD\/6\u2013311++G** level of theory.<\/jats:p>","DOI":"10.1107\/s205698902500115x","type":"journal-article","created":{"date-parts":[[2025,2,14]],"date-time":"2025-02-14T08:49:20Z","timestamp":1739522960000},"page":"224-228","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Synthesis, structural characterization, Hirshfeld surface analysis and QTAIM analysis of 3-(4-cyanothiophen-3-yl)-[1,2,4]selenadiazolo[4,5-<i>a<\/i>]pyridin-4-ium chloride"],"prefix":"10.1107","volume":"81","author":[{"given":"Alexander A.","family":"Sapronov","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Evgeny A.","family":"Dukhnovsky","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alexey S.","family":"Kubasov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9913-5324","authenticated-orcid":true,"given":"Alexander S.","family":"Novikov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Maria M.","family":"Grishina","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Ekaterina V.","family":"Dobrokhotova","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Milena R.","family":"Komarovskikh","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6842-151X","authenticated-orcid":true,"given":"Namiq Q.","family":"Shikhaliyev","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2421-0929","authenticated-orcid":true,"given":"Mehmet","family":"Akkurt","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-2648-4686","authenticated-orcid":true,"given":"Ajaya","family":"Bhattarai","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alexander G.","family":"Tskhovrebov","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2025,2,14]]},"reference":[{"key":"tx2093_bb1","doi-asserted-by":"crossref","first-page":"2018","DOI":"10.1021\/acs.cgd.3c00101","volume":"23","author":"Artemjev","year":"2023","journal-title":"Cryst. 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