{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,22]],"date-time":"2026-10-22T10:50:22Z","timestamp":1792666222861,"version":"4.5.0"},"reference-count":0,"publisher":"International Union of Crystallography (IUCr)","issue":"2","license":[{"start":{"date-parts":[[2000,4,1]],"date-time":"2000-04-01T00:00:00Z","timestamp":954547200000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},{"start":{"date-parts":[[2000,4,1]],"date-time":"2000-04-01T00:00:00Z","timestamp":954547200000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html#TDM"}],"content-domain":{"domain":["iucr.org","wiley.com","iucrj.org"],"crossmark-restriction":true},"short-container-title":["Acta Crystallogr B Struct Sci","Acta Cryst B","Acta Cryst Sect B","Acta Crystallogr B","Acta Crystallogr Sect B","Acta Crystallogr Sect B Struct Sci"],"accepted":{"date-parts":[[1999,10,25]]},"published-print":{"date-parts":[[2000,4,1]]},"abstract":"<jats:p>The anisotropy of structural distortion of the monoclinic polymorph of acetaminophen induced by hydrostatic pressure up to 4.0\u2005GPa was studied by single-crystal X-ray diffraction in a Merrill\u2013Bassett diamond anvil cell (DAC). The space group (<jats:italic>P<\/jats:italic>2<jats:sub>1<\/jats:sub>\/<jats:italic>n<\/jats:italic>) and the general structural pattern remained unchanged with pressure. Despite the overall decrease in the molar volume with pressure, the structure expanded in particular crystallographic directions. One of the linear cell parameters (<jats:italic>c<\/jats:italic>) passed through a minimum as the pressure increased. The intramolecular bond lengths changed only slightly with pressure, but the changes in the dihedral and torsion angles were very large. The compressibility of the intermolecular hydrogen bonds NH...O and OH...O was measured. NH...O bonds were shown to be slightly more compressible than OH...O bonds. The anisotropy of structural distortion was analysed in detail in relation to the pressure-induced changes in the molecular conformations, to the compression of the hydrogen-bond network, and to the changes in the orientation of molecules with respect to each other in the pleated sheets in the structure. Dirichlet domains were calculated in order to analyse the relative shifts of the centroids of the hydrogen-bonded cycles and of the centroids of the benzene rings with pressure.<\/jats:p>","DOI":"10.1107\/s0108768199013634","type":"journal-article","created":{"date-parts":[[2002,7,27]],"date-time":"2002-07-27T05:09:34Z","timestamp":1027746574000},"page":"299-309","update-policy":"https:\/\/doi.org\/10.1107\/cm_01","source":"Crossref","is-referenced-by-count":100,"title":["Anisotropic crystal structure distortion of the monoclinic polymorph of acetaminophen at high hydrostatic pressures"],"prefix":"10.1107","volume":"56","author":[{"given":"E. V.","family":"Boldyreva","sequence":"first","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"T. P.","family":"Shakhtshneider","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"M. A.\u00a0","family":"Vasilchenko","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"H.\u00a0","family":"Ahsbahs","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"H.\u00a0","family":"Uchtmann","sequence":"additional","affiliation":[],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"329","published-online":{"date-parts":[[2000,4,1]]},"container-title":["Acta Crystallographica Section B Structural Science"],"original-title":[],"link":[{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2000\/02\/00\/av0025\/av0025.pdf","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"http:\/\/journals.iucr.org\/b\/issues\/2000\/02\/00\/av0025\/av0025.pdf","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,1,11]],"date-time":"2025-01-11T13:51:15Z","timestamp":1736603475000},"score":1,"resource":{"primary":{"URL":"https:\/\/journals.iucr.org\/paper?S0108768199013634"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2000,4,1]]},"references-count":0,"journal-issue":{"issue":"2","published-print":{"date-parts":[[2000,4]]}},"alternative-id":["S0108768199013634"],"URL":"https:\/\/doi.org\/10.1107\/s0108768199013634","relation":{"is-supplemented-by":[{"id-type":"doi","id":"10.1107\/S0108768199013634\/av0025sup1.cif","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768199013634\/av00251sup2.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768199013634\/av00252sup3.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768199013634\/av00253sup4.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768199013634\/av00254sup5.hkl","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768199013634\/av0025sup6.pdf","asserted-by":"subject"},{"id-type":"doi","id":"10.1107\/S0108768199013634\/av0025sup7.pdf","asserted-by":"subject"}]},"ISSN":["0108-7681"],"issn-type":[{"value":"0108-7681","type":"print"}],"subject":[],"published":{"date-parts":[[2000,4,1]]},"assertion":[{"value":"Acta Crystallographica Section B: Structural Science","order":0,"name":"journal","label":"Publication","explanation":{"URL":"http:\/\/journals.iucr.org\/b"},"group":{"name":"general","label":"General"}},{"value":"research papers","order":1,"name":"content_type","label":"Content type","explanation":{"URL":"https:\/\/journals.iucr.org\/b\/services\/notesforauthors.html"},"group":{"name":"general","label":"General"}},{"value":"Available","URL":"http:\/\/scripts.iucr.org\/cgi-bin\/citedin?av0025","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":"29 September 1999","order":0,"name":"received","label":"Received","group":{"name":"publication_history","label":"Publication history"}},{"value":"25 October 1999","order":1,"name":"accepted","label":"Accepted","group":{"name":"publication_history","label":"Publication history"}},{"value":"1 April 2000","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":"http:\/\/scripts.iucr.org\/cgi-bin\/sendsup?av0025"}},{"value":"\u00a9 2000 International Union of Crystallography","order":0,"name":"copyright","label":"Copyright","explanation":{"URL":"http:\/\/journals.iucr.org\/services\/copyrightpolicy.html"},"group":{"name":"copyright_and_licensing","label":"Copyright and licencing"}}]}}