78932 20201113085627.0 doi 10.1107/S2053229619003115 sideral 111259 ART-2019-111259 eng (orcid)0000-0001-6933-5595 Vráblová, A. Polymorphism of the dinuclear Co III –Schiff base complex [Co 2 (o-van-en) 3 ]·4CH 3 CN (o-van-en is a salen-type ligand) 2019 Access copy available to the general public Unrestricted Reactions of Co(OH) 2 with the Schiff base bis(2-hydroxy-3-methoxybenzylidene)ethylenediamine, denoted H 2 (o-van-en), under different conditions yielded the previously reported complex aqua[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(II), [Co(C 18 H 18 N 2 O 4 )(H 2 O)], 1, under anaerobic conditions and two polymorphs of [µ-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]bis{[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(III)} acetonitrile tetrasolvate, [Co 2 (C 18 H 18 N 2 O 4 ) 3 ]·4CH 3 CN, i.e. monoclinic 2 and triclinic 3, in the presence of air. Both novel polymorphs were chemically and spectroscopically characterized. Their crystal structures are built up of centrosymmetric dinuclear [Co 2 (o-van-en) 3 ] complex molecules, in which each Co III atom is coordinated by one tetradentate dianionic o-van-en ligand in an uncommon bent fashion. The pseudo-octahedral coordination of the Co III atom is completed by one phenolate O and one amidic N atom of the same arm of the bridging o-van-en ligand. In addition, the asymmetric units of both polymorphs contain two acetonitrile solvent molecules. The polymorphs differ in the packing orders of the dinuclear [Co 2 (o-van-en) 3 ] complex molecules, i.e. alternating ABABAB in 2 and AAA in 3. In addition, differences in the conformations, the positions of the acetonitrile solvent molecules and the pattern of intermolecular interactions were observed. Hirshfeld surface analysis permits a qualitative inspection of the differences in the intermolecular space in the two polymorphs. A knowledge-based study employing Full Interaction Maps was used to elucidate possible reasons for the polymorphism. info:eu-repo/grantAgreement/ES/DGA/E11-17R info:eu-repo/grantAgreement/ES/DGA/FEDER info:eu-repo/grantAgreement/ES/DGA/M4 info:eu-repo/grantAgreement/ES/MINECO/MAT2015-68200-C2-1-P info:eu-repo/semantics/openAccess All rights reserved http://www.europeana.eu/rights/rr-f/ 1.09 2019 CRYSTALLOGRAPHY 19 / 26 = 0.731 2019 Q3 T3 CHEMISTRY, MULTIDISCIPLINARY 139 / 177 = 0.785 2019 Q4 T3 0.262 2019 Condensed Matter Physics 2019 Q3 Materials Chemistry 2019 Q3 Medicine (miscellaneous) 2019 Q3 Physical and Theoretical Chemistry 2019 Q4 Inorganic Chemistry 2019 Q4 info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Cernák, J. (orcid)0000-0002-0444-996X Falvello, L.R. Universidad de Zaragoza Tomás, M. 2010 760 Universidad de Zaragoza Dpto. Química Inorgánica Área Química Inorgánica C75 (2019), 433-442 Acta crystallogr., C Struct. chem. Acta Crystallographica Section C-Structural Chemistry 2053-2296 502388 http://zaguan.unizar.es/record/78932/files/texto_completo.pdf Versión publicada 93974 http://zaguan.unizar.es/record/78932/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:78932 articulos driver 2020-11-13-08:47:18 ARTICLE