MOLECULAR AND SUPRAMOLECULAR STRUCTURE OF 4,4'-BIPYRIDINIUM DIIODIDE

Authors
IYERE PA KAYREN LJ CORDES AW EAGLE CT NILE TA SCHIMEK GL PENNINGTON WT
Citation
Pa. Iyere et al., MOLECULAR AND SUPRAMOLECULAR STRUCTURE OF 4,4'-BIPYRIDINIUM DIIODIDE, Materials research bulletin, 1998, pp. 159-167
Citations number
33
Categorie Soggetti
Material Science
Journal title
Materials research bulletin → ACNP
ISSN journal
00255408
Year of publication
1998
Supplement
S
Pages
159 - 167
Database
ISI
SICI code
0025-5408(1998):<159:MASSO4>2.0.ZU;2-0
Abstract
The structure of 4,4'-bipyridinium diiodide has been determined, The d iprotonated cation possesses crystallographic inversion symmetry with the pyridyl rings coplanar. The crystal packing is dominated by weak b ut directional N-H ... I (N ... I distance of 3.47(2) Angstrom) and C- H ... I (C ... I distances of 3.74(3)-3.77(3) Angstrom) interactions t o give layers of ions. The layers stack parallel to the (101) directio n and are linked together by an additional C-H I interaction (C ... I distance of 3.816(5) Angstrom). Crystal data: triclinic, P-l (No. 2), a = 8.2940(13), b = 8.3842(11), c = 5.0978(8) Angstrom, alpha = 93.761 (11)degrees, beta = 112.281(12)degrees, gamma = 106.887(11)degrees, V = 307.63(8) Angstrom(3), Z = 1, D-calc = 2.22 g/cm(3). Final residual values based on 997 observed (I > 2 sigma(I)) reflections: R = 0.026, R-w = 0.034. (C) 1998 Elsevier Science Ltd.