Molecular and supramolecular structure of 4,4 '-bipyridinium diiodide

by Iyere, P. A.; Kayren, L. J.; Cordes, A. Wallace; Eagle, C. T.; Nile, T. A.; Schimek, G. L.; Pennington, William Thomas

The structure of 4,4'-bipyridinium diiodide has been determined, The diprotonated cation possesses crystallographic inversion symmetry with the pyridyl rings coplanar. The crystal packing is dominated by weak but 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 to give layers of ions. The layers stack parallel to the (101) direction 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.

Journal
Materials Research Bulletin
Year
1998
Start Page
159
ISBN/ISSN
1873-4227; 0025-5408
DOI
10.1016/S0025-5408(98)00127-5