{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,7,30]],"date-time":"2026-07-30T09:25:52Z","timestamp":1785403552253,"version":"3.56.0"},"reference-count":22,"publisher":"International Union of Crystallography (IUCr)","issue":"5","license":[{"start":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T00:00:00Z","timestamp":1777420800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,4,29]],"date-time":"2026-04-29T00:00:00Z","timestamp":1777420800000},"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":[[2026,4,24]]},"published-print":{"date-parts":[[2026,5,1]]},"abstract":"<jats:p>\n                    Etoxazole is an agricultural pesticide that degrades into potentially hazardous metabolites, necessitating a thorough understanding of their chemical properties for accurate environmental and health risk assessments. This study reports the synthesis and structural characterization of two precursors of an etoxazole metabolite designated \u2018R8\u2019: 1-(4-\n                    <jats:italic>tert<\/jats:italic>\n                    -butyl-2-ethoxyphenyl)-2-hydroxyethan-1-one, C\n                    <jats:sub>14<\/jats:sub>\n                    H\n                    <jats:sub>20<\/jats:sub>\n                    O\n                    <jats:sub>3<\/jats:sub>\n                    (\n                    <jats:bold>I<\/jats:bold>\n                    ), and 1-(4-\n                    <jats:italic>tert<\/jats:italic>\n                    -butyl-2-ethoxyphenyl)ethan-1-one, C\n                    <jats:sub>14<\/jats:sub>\n                    H\n                    <jats:sub>20<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    (\n                    <jats:bold>II<\/jats:bold>\n                    ). Compound\n                    <jats:bold>I<\/jats:bold>\n                    crystallizes with the symmetry of space group\n                    <jats:italic>Pnma<\/jats:italic>\n                    , while\n                    <jats:bold>II<\/jats:bold>\n                    crystallizes as\n                    <jats:italic>P<\/jats:italic>\n                    2\n                    <jats:sub>1<\/jats:sub>\n                    \/\n                    <jats:italic>m<\/jats:italic>\n                    . In both structures, the molecules lie on crystallographic mirror planes (\n                    <jats:italic>Z<\/jats:italic>\n                    \u2032 = 1\/2) and exhibit a high degree of conformational similarity, differing primarily in the torsion angle of the\n                    <jats:italic>tert<\/jats:italic>\n                    -butyl group. The crystal packing in both structures is consolidated by weak C\u2014H...\u03c0 contacts that assemble the molecules into columns parallel to the crystallographic\n                    <jats:italic>b<\/jats:italic>\n                    axes. Hirshfeld-surface analyses show that the intermolecular interactions in both compounds are overwhelmingly dominated by contacts involving hydrogen atoms.\n                  <\/jats:p>","DOI":"10.1107\/s2056989026004329","type":"journal-article","created":{"date-parts":[[2026,4,28]],"date-time":"2026-04-28T06:21:16Z","timestamp":1777357276000},"page":"530-533","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Crystal structures and Hirshfeld surface analyses of two precursors of the etoxazole metabolite \u2018R8\u2019"],"prefix":"10.1107","volume":"82","author":[{"given":"Chaluvarangaiah","family":"Sowbhagya","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/03am10p12","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Thaluru M.","family":"Mohan Kumar","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/03am10p12","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Papegowda","family":"Bhavya","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Holehundi J.","family":"Shankara Prasad","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"C.","family":"Harish Chinthal","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9039-0273","authenticated-orcid":true,"given":"Hemmige S.","family":"Yathirajan","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/012bxv356","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5777-3918","authenticated-orcid":true,"given":"Sean","family":"Parkin","sequence":"additional","affiliation":[{"id":[{"id":"https:\/\/ror.org\/02k3smh20","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,4,29]]},"reference":[{"key":"nx2035_bb1","doi-asserted-by":"crossref","first-page":"154481","DOI":"10.1016\/j.tetlet.2023.154481","volume":"121","author":"Bai","year":"2023","journal-title":"Tetrahedron Lett."},{"key":"nx2035_bb2","unstructured":"Bruker (2023). 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