Crystal structures of 2,2′-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2′-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyano-methylene) propane-1,3-diide

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dc.contributor.author Setifi, Z.
dc.contributor.author Valkonen, A.
dc.contributor.author Fernandes, M.A.
dc.contributor.author Glidewell, C.
dc.contributor.author Harrison, W.T.A.
dc.contributor.author Nummelin, S.
dc.contributor.author Boughzala, H.
dc.contributor.author Setifi, F.
dc.date.accessioned 2016-11-22T13:03:52Z
dc.date.available 2016-11-22T13:03:52Z
dc.date.issued 2015-05
dc.identifier.citation Setifi, Z. et al. 2015. Acta Crystallographica Section E: Crystallographic Communications. 71(5), pp.509-515. en_ZA
dc.identifier.issn 2056-9890
dc.identifier.uri http://hdl.handle.net/10539/21471
dc.description.abstract In 2,2′-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide, C10H9N2+·-C9H5N4O-, (I), the ethyl group in the anion is disordered over two sets of atomic sites with occupancies 0.634 (9) and 0.366 (9), and the dihedral angle between the ring planes in the cation is 2.11 (7)°. The two independent C(CN)2 groups in the anion make dihedral angles of 10.60 (6) and 12.44 (4)° with the central propenide unit, and the bond distances in the anion provide evidence for extensive electronic delocalization. In bis(2,2′-bipyridin-1-ium) 1,1,3,3-tetra-cyano-2-(dicyanomethylene) propane-1,3-diide [alternative name bis(2,2′-bipyr-idin-1-ium) tris(dicyanomethylene) methanediide], 2C10H9N2+·C10N62- (II), the dihedral angles between the ring planes in the two independent cations are 7.7 (2) and 10.92 (17)°. The anion exhibits approximate C3 symmetry, consistent with extensive electronic delocalization, and the three independent C(CN)2 groups make dihedral angles of 23.8 (2), 27.0 (3) and 27.4 (2)° with the central plane. The ions in (I) are linked by an N - H⋯N hydrogen bond and the resulting ion pairs are linked by two independent C - H⋯N hydrogen bonds, forming a ribbon containing alternating R44(18) and R44(26) rings, where both ring types are centrosymmetric. The ions in (II) are linked by two independent N - H⋯N hydrogen bonds and the resulting ion triplets are linked by a C - H⋯N hydrogen bond, forming a C12(7) chain containing anions and only one type of cation, with the other cation linked to the chain by a further C - H⋯N hydrogen bond. en_ZA
dc.language.iso en en_ZA
dc.publisher International Union of Crystallography en_ZA
dc.subject Bipyridinium cations en_ZA
dc.subject Crystal structure en_ZA
dc.subject Hydrogen bonding en_ZA
dc.subject Molecular conformation en_ZA
dc.subject Polynitrile anions en_ZA
dc.title Crystal structures of 2,2′-bipyridin-1-ium 1,1,3,3-tetracyano-2-ethoxyprop-2-en-1-ide and bis(2,2′-bipyridin-1-ium) 1,1,3,3-tetracyano-2-(dicyano-methylene) propane-1,3-diide en_ZA
dc.type Article en_ZA
dc.journal.volume 71 en_ZA
dc.journal.title Acta Crystallographica Section E: Crystallographic Communications en_ZA
dc.description.librarian SP2016 en_ZA
dc.citation.doi 10.1107/S2056989015007306 en_ZA
dc.citation.epage 515 en_ZA
dc.citation.issue 5 en_ZA
dc.description.url http://journals.iucr.org/e/issues/2015/05/00/hb7404/hb7404.pdf en_ZA
dc.citation.spage 509 en_ZA


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