Structures of (ferrocenylmethyl)trimethylammonium iodide and hexa-<i>N</i>-methylferrocene-1,1'-diylbis(methylammonium iodide)

Abstract

(Ferrocenylmethyl)trimethylammonium iodide (1), [C 14-\nH20FeN][I], Mr = 385.07, monoclinic, P2dc, a =\n8.6236 (5), b = 13.5926 (10), c = 12.8623 (6) A, ~ =\n102.792 (4)° , V = 1470.3 (2) A 3, Z = 4, T = 293K,\nF(000) = 760, Dx = 1.74 gcm -3, Mo Ks, A -- 0.71069 ,~,\n# = 3.08mm -l, R = 0.024 for 4075 observations\n[I &gt; 30"(/)]. The [{(CsHs)Fe(CsH4)I-CH2N(CH3)3] +\ncation is involved in a three-dimensional network of\nC--H...I- interactions (both the cation and anion\nresiding in general positions). The shortest C.-.I distances\nare 3.954 (2), 3.992 (2) and 4.009 (3) A. Hexa-Nmethylferrocene-\n1,1'-diylbis(methylammonium iodide)\n(2), [C18H30FeN2].2[I], Mr = 584.10, monoclinic,\nC2/c, a = 27.1457(12), b -- 12.3446(6), c =\n14.5295 (10) ,A,, /3 = 115.909 (4) °, V = 4379.5 (4) A, 3,\nZ = 8, T = 293 K, F(000) = 2264, Dx -- 1.772gcm -3,\nMoKa, A = 0.71069A, # = 3.48mm -I, R =\n0.031 for 4482 observations [I &gt; 30"(/)]. In (2),\nthe [Fe{(CsHa)CH2-N(CH3)3}2] 2÷ cation (which has\napproximate twofold symmetry) and one of the anions\nreside in general positions. Another iodide resides on a\ntwofold axis, while a third iodide lies on an inversion\ncentre. A more extensive three-dimensional network of\nC--H---I- interactions is present in (2) than in (1) and\ninvolves all three of the iodide anions. The shortest\nC--.I- contacts are 3.733 (4) and 3.848 (4) A~ and involve\nthe iodide which resides in a general position (all three\niodides have C...I contacts &lt; 4.1 A).

Keywords

Affiliated Institutions

• University of Guelph CA
• University of St Andrews GB
• NOAA Chemical Sciences Laboratory US

Related Publications