78299 20200117213746.0 doi 10.1021/acs.cgd.7b01065 sideral 104201 ART-2018-104201 eng Beldjoudi, Y. Structural Variations in the Dithiadiazolyl Radicals p-ROC6F4CNSSN (R = Me, Et, nPr, nBu): A Case Study of Reversible and Irreversible Phase Transitions in p-EtOC6F4CNSSN 2018 Access copy available to the general public Unrestricted The 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. info:eu-repo/grantAgreement/ES/DGA/M4 info:eu-repo/grantAgreement/ES/MINECO/MAT2015-68200-C2-2-P info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 4.153 2018 CRYSTALLOGRAPHY 2 / 25 = 0.08 2018 Q1 T1 MATERIALS SCIENCE, MULTIDISCIPLINARY 66 / 293 = 0.225 2018 Q1 T1 CHEMISTRY, MULTIDISCIPLINARY 47 / 172 = 0.273 2018 Q2 T1 1.046 2018 Chemistry (miscellaneous) 2018 Q1 Materials Science (miscellaneous) 2018 Q1 Condensed Matter Physics 2018 Q1 info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion Sun, R. (orcid)0000-0002-5999-341X Arauzo, A. Universidad de Zaragoza (orcid)0000-0002-3600-1721 Campo, J. Universidad de Zaragoza Less, R.J. Rawson, J.M. 2003 395 Universidad de Zaragoza Dpto. Física Materia Condensa. Área Física Materia Condensada 18, 1 (2018), 179-188 Cryst. growth des. CRYSTAL GROWTH & DESIGN 1528-7483 410882 http://zaguan.unizar.es/record/78299/files/texto_completo.pdf Postprint 99521 http://zaguan.unizar.es/record/78299/files/texto_completo.jpg?subformat=icon icon Postprint oai:zaguan.unizar.es:78299 articulos driver 2020-01-17-21:29:46 ARTICLE