000078932 001__ 78932
000078932 005__ 20201113085627.0
000078932 0247_ $$2doi$$a10.1107/S2053229619003115
000078932 0248_ $$2sideral$$a111259
000078932 037__ $$aART-2019-111259
000078932 041__ $$aeng
000078932 100__ $$0(orcid)0000-0001-6933-5595$$aVráblová, A.
000078932 245__ $$aPolymorphism of the dinuclear Co III –Schiff base complex [Co 2 (o-van-en) 3 ]·4CH 3 CN (o-van-en is a salen-type ligand)
000078932 260__ $$c2019
000078932 5060_ $$aAccess copy available to the general public$$fUnrestricted
000078932 5203_ $$aReactions of Co(OH) 2 with the Schiff base bis(2-hydroxy-3-methoxybenzylidene)ethylenediamine, denoted H 2 (o-van-en), under different conditions yielded the previously reported complex aqua[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(II), [Co(C 18 H 18 N 2 O 4 )(H 2 O)], 1, under anaerobic conditions and two polymorphs of [µ-bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]bis{[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(III)} acetonitrile tetrasolvate, [Co 2 (C 18 H 18 N 2 O 4 ) 3 ]·4CH 3 CN, i.e. monoclinic 2 and triclinic 3, in the presence of air. Both novel polymorphs were chemically and spectroscopically characterized. Their crystal structures are built up of centrosymmetric dinuclear [Co 2 (o-van-en) 3 ] complex molecules, in which each Co III atom is coordinated by one tetradentate dianionic o-van-en ligand in an uncommon bent fashion. The pseudo-octahedral coordination of the Co III atom is completed by one phenolate O and one amidic N atom of the same arm of the bridging o-van-en ligand. In addition, the asymmetric units of both polymorphs contain two acetonitrile solvent molecules. The polymorphs differ in the packing orders of the dinuclear [Co 2 (o-van-en) 3 ] complex molecules, i.e. alternating ABABAB in 2 and AAA in 3. In addition, differences in the conformations, the positions of the acetonitrile solvent molecules and the pattern of intermolecular interactions were observed. Hirshfeld surface analysis permits a qualitative inspection of the differences in the intermolecular space in the two polymorphs. A knowledge-based study employing Full Interaction Maps was used to elucidate possible reasons for the polymorphism.
000078932 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E11-17R$$9info:eu-repo/grantAgreement/ES/DGA/FEDER$$9info:eu-repo/grantAgreement/ES/DGA/M4$$9info:eu-repo/grantAgreement/ES/MINECO/MAT2015-68200-C2-1-P
000078932 540__ $$9info:eu-repo/semantics/openAccess$$aAll rights reserved$$uhttp://www.europeana.eu/rights/rr-f/
000078932 590__ $$a1.09$$b2019
000078932 591__ $$aCRYSTALLOGRAPHY$$b19 / 26 = 0.731$$c2019$$dQ3$$eT3
000078932 591__ $$aCHEMISTRY, MULTIDISCIPLINARY$$b139 / 177 = 0.785$$c2019$$dQ4$$eT3
000078932 592__ $$a0.262$$b2019
000078932 593__ $$aCondensed Matter Physics$$c2019$$dQ3
000078932 593__ $$aMaterials Chemistry$$c2019$$dQ3
000078932 593__ $$aMedicine (miscellaneous)$$c2019$$dQ3
000078932 593__ $$aPhysical and Theoretical Chemistry$$c2019$$dQ4
000078932 593__ $$aInorganic Chemistry$$c2019$$dQ4
000078932 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000078932 700__ $$aCernák, J.
000078932 700__ $$0(orcid)0000-0002-0444-996X$$aFalvello, L.R.$$uUniversidad de Zaragoza
000078932 700__ $$aTomás, M.
000078932 7102_ $$12010$$2760$$aUniversidad de Zaragoza$$bDpto. Química Inorgánica$$cÁrea Química Inorgánica
000078932 773__ $$gC75 (2019), 433-442$$pActa crystallogr., C Struct. chem.$$tActa Crystallographica Section C-Structural Chemistry$$x2053-2296
000078932 8564_ $$s502388$$uhttps://zaguan.unizar.es/record/78932/files/texto_completo.pdf$$yVersión publicada
000078932 8564_ $$s93974$$uhttps://zaguan.unizar.es/record/78932/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000078932 909CO $$ooai:zaguan.unizar.es:78932$$particulos$$pdriver
000078932 951__ $$a2020-11-13-08:47:18
000078932 980__ $$aARTICLE