000078299 001__ 78299 000078299 005__ 20200117213746.0 000078299 0247_ $$2doi$$a10.1021/acs.cgd.7b01065 000078299 0248_ $$2sideral$$a104201 000078299 037__ $$aART-2018-104201 000078299 041__ $$aeng 000078299 100__ $$aBeldjoudi, Y. 000078299 245__ $$aStructural Variations in the Dithiadiazolyl Radicals p-ROC6F4CNSSN (R = Me, Et, nPr, nBu): A Case Study of Reversible and Irreversible Phase Transitions in p-EtOC6F4CNSSN 000078299 260__ $$c2018 000078299 5060_ $$aAccess copy available to the general public$$fUnrestricted 000078299 5203_ $$aThe 4'-alkoxy-tetrafluorophenyl dithiadiazolyls, ROC6F4CNSSN [R = Me (1), Et (2), nPr (3), nBu(4)] all adopt cis-oid dimers in the solid state. The methoxy derivative 1 adopts a p-stacked AA'AA' motif, whereas propoxy (3) and butoxy (4) derivatives exhibit an AA'BB' stacking. The ethoxy derivative (2) is polymorphic. The a-phase (2a) adopts an AA'BB' motif comparable with 3 and 4, whereas 2ß and 2y are reminiscent of 1 but combine a mixture of both monomers and dimers in the solid state. The structure of 2ß exhibits Z' = 6 with two dimers and two monomers in the asymmetric unit but undergoes a thermally induced phase transition upon cooling below -25 °C to form 2y (Z' = 14) with six dimers and two monomers in the asymmetric unit. The transition is associated with both rotation and translation of the dithiadiazolyl ring. Detailed differential scanning calorimetry and variable temperature powder X-ray diffraction studies coupled with SQUID magnetometry have been used to show that 2a converts irreversibly to 2ß upon heating and that 2ß and 2¿; interconvert through a reversible phase transition with a small thermal hysteresis in its magnetic response. 000078299 536__ $$9info:eu-repo/grantAgreement/ES/DGA/M4$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2015-68200-C2-2-P 000078299 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/ 000078299 590__ $$a4.153$$b2018 000078299 591__ $$aCRYSTALLOGRAPHY$$b2 / 25 = 0.08$$c2018$$dQ1$$eT1 000078299 591__ $$aMATERIALS SCIENCE, MULTIDISCIPLINARY$$b66 / 293 = 0.225$$c2018$$dQ1$$eT1 000078299 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b47 / 172 = 0.273$$c2018$$dQ2$$eT1 000078299 592__ $$a1.046$$b2018 000078299 593__ $$aChemistry (miscellaneous)$$c2018$$dQ1 000078299 593__ $$aMaterials Science (miscellaneous)$$c2018$$dQ1 000078299 593__ $$aCondensed Matter Physics$$c2018$$dQ1 000078299 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion 000078299 700__ $$aSun, R. 000078299 700__ $$0(orcid)0000-0002-5999-341X$$aArauzo, A.$$uUniversidad de Zaragoza 000078299 700__ $$0(orcid)0000-0002-3600-1721$$aCampo, J.$$uUniversidad de Zaragoza 000078299 700__ $$aLess, R.J. 000078299 700__ $$aRawson, J.M. 000078299 7102_ $$12003$$2395$$aUniversidad de Zaragoza$$bDpto. Física Materia Condensa.$$cÁrea Física Materia Condensada 000078299 773__ $$g18, 1 (2018), 179-188$$pCryst. growth des.$$tCRYSTAL GROWTH & DESIGN$$x1528-7483 000078299 8564_ $$s410882$$uhttps://zaguan.unizar.es/record/78299/files/texto_completo.pdf$$yPostprint 000078299 8564_ $$s99521$$uhttps://zaguan.unizar.es/record/78299/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint 000078299 909CO $$ooai:zaguan.unizar.es:78299$$particulos$$pdriver 000078299 951__ $$a2020-01-17-21:29:46 000078299 980__ $$aARTICLE