{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,2,21]],"date-time":"2025-02-21T21:48:49Z","timestamp":1740174529818,"version":"3.37.3"},"reference-count":15,"publisher":"International Union of Crystallography (IUCr)","issue":"8","license":[{"start":{"date-parts":[[2024,7,15]],"date-time":"2024-07-15T00:00:00Z","timestamp":1721001600000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"},{"start":{"date-parts":[[2024,7,15]],"date-time":"2024-07-15T00:00:00Z","timestamp":1721001600000},"content-version":"tdm","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by\/4.0\/legalcode"}],"funder":[{"DOI":"10.13039\/100000181","name":"Air Force Office of Scientific Research","doi-asserted-by":"crossref","award":["703-588-8487"],"award-info":[{"award-number":["703-588-8487"]}],"id":[{"id":"10.13039\/100000181","id-type":"DOI","asserted-by":"crossref"}]}],"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":[[2024,7,11]]},"published-print":{"date-parts":[[2024,8,1]]},"abstract":"<jats:p>The aryl diester compound, 2-methyl-1,4-phenylene bis(3,5-dibromobenzoate), C<jats:sub>21<\/jats:sub>H<jats:sub>12<\/jats:sub>Br<jats:sub>4<\/jats:sub>O<jats:sub>4<\/jats:sub>, was synthesized by esterification of methyl hydroquinone with 3,5-dibromobenzoic acid. A crystalline sample was obtained by cooling a sample of the melt (m.p. = 502\u2005K\/DSC) to room temperature. The molecular structure consists of a central benzene ring with <jats:italic>anti<\/jats:italic>-3,5-dibromobenzoate groups symmetrically attached at the 1 and 4 positions and a methyl group attached at the 2 position of the central ring. In the crystal structure (space group <jats:italic>P<\/jats:italic>\\overline{1}), molecules of the title aryl diester are located on inversion centers imposing disorder of the methyl group and H atom across the central benzene ring. The crystal structure is consolidated by a network of C\u2014H...Br hydrogen bonds in addition to weaker and offset \u03c0\u2013\u03c0 interactions involving the central benzene rings as well as the rings of the attached 3,5-dibromobenzoate groups.<\/jats:p>","DOI":"10.1107\/s2056989024006820","type":"journal-article","created":{"date-parts":[[2024,7,15]],"date-time":"2024-07-15T10:24:04Z","timestamp":1721039044000},"page":"863-866","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":0,"title":["Crystal and molecular structure of 2-methyl-1,4-phenylene bis(3,5-dibromobenzoate)"],"prefix":"10.1107","volume":"80","author":[{"ORCID":"https:\/\/orcid.org\/0009-0009-7616-606X","authenticated-orcid":true,"given":"Nathan J.","family":"Weeks","sequence":"first","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Moira K.","family":"Lauer","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3722-3112","authenticated-orcid":true,"given":"Gary J.","family":"Balaich","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Scott T.","family":"Iacono","sequence":"additional","affiliation":[],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"329","published-online":{"date-parts":[[2024,7,15]]},"reference":[{"key":"wm5727_bb1","doi-asserted-by":"crossref","first-page":"518","DOI":"10.1038\/nchem.1624","volume":"5","author":"Chung","year":"2013","journal-title":"Nat. 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