{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,2]],"date-time":"2026-09-02T06:18:06Z","timestamp":1788329886175,"version":"build-2803163510"},"reference-count":17,"publisher":"International Union of Crystallography (IUCr)","issue":"6","license":[{"start":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T00:00:00Z","timestamp":1778544000000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2026,5,12]],"date-time":"2026-05-12T00:00:00Z","timestamp":1778544000000},"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":[[2026,5,2]]},"published-print":{"date-parts":[[2026,6,1]]},"abstract":"<jats:p>\n                    The crystal structure of saflufenacil or 2-chloro-4-fluoro-\n                    <jats:italic>N<\/jats:italic>\n                    -(\n                    <jats:italic>N<\/jats:italic>\n                    -isopropyl-\n                    <jats:italic>N<\/jats:italic>\n                    -methylsulfamoyl)-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]benzamide, C\n                    <jats:sub>17<\/jats:sub>\n                    H\n                    <jats:sub>17<\/jats:sub>\n                    ClF\n                    <jats:sub>4<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    O\n                    <jats:sub>5<\/jats:sub>\n                    S, has been determined by single-crystal X-ray diffraction. The compound crystallizes in the monoclinic space group\n                    <jats:italic>P<\/jats:italic>\n                    2\n                    <jats:sub>1<\/jats:sub>\n                    \/\n                    <jats:italic>c.<\/jats:italic>\n                    The asymmetric unit contains one molecule of Saflufenacil. The trifluoromethyl-substituted dihydropyrimidine ring is essentially planar, while the dihedral angle between this ring and the central benzene ring is 86.70\u2005(6)\u00b0, indicating an almost perpendicular orientation. In the crystal, N\u2014H...O hydrogen bonds link adjacent molecules into infinite chains extending along the\n                    <jats:italic>b-<\/jats:italic>\n                    axis direction, which are further assembled into two-dimensional layers\n                    <jats:italic>via<\/jats:italic>\n                    weak C\u2014H...O interactions. Hirshfeld surface analysis reveals that H...O\/O...H, H...H, H...F\/F...H and H...C\/C...H contacts contribute 26.6%, 20.8%, 15.4% and 8.7%, respectively, to the total surface area. Energy framework calculations confirm a two-dimensional interaction network with a high total energy, consistent with the close-packing arrangement in the crystal.\n                  <\/jats:p>","DOI":"10.1107\/s2056989026004585","type":"journal-article","created":{"date-parts":[[2026,5,7]],"date-time":"2026-05-07T08:13:11Z","timestamp":1778141591000},"page":"606-609","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Crystal structure and Hirshfeld surface analysis of saflufenacil"],"prefix":"10.1107","volume":"82","author":[{"given":"Jiyong","family":"Liu","sequence":"first","affiliation":[{"id":[{"id":"https:\/\/ror.org\/00a2xv884","id-type":"ROR","asserted-by":"publisher"}]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2026,5,12]]},"reference":[{"key":"dj2090_bb1","unstructured":"Bruker (2018). APEX4 and SAINT. 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