
Structures of (ferrocenylmethyl)trimethylammonium iodide and hexa‐ N ‐methylferrocene‐1,1'‐diylbis(methylammonium iodide)
Author(s) -
Ferguson G.,
Gallagher J. F.,
Glidewell C.,
Zakaria C. M.
Publication year - 1994
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
eISSN - 1600-5740
pISSN - 0108-7681
DOI - 10.1107/s0108768193010985
Subject(s) - iodide , monoclinic crystal system , hexa , chemistry , crystallography , ion , stereochemistry , medicinal chemistry , crystal structure , inorganic chemistry , organic chemistry
(Ferrocenylmethyl)trimethylammonium iodide (1), [C 14-\udH20FeN][I], Mr = 385.07, monoclinic, P2dc, a =\ud8.6236 (5), b = 13.5926 (10), c = 12.8623 (6) A, ~ =\ud102.792 (4)° , V = 1470.3 (2) A 3, Z = 4, T = 293K,\udF(000) = 760, Dx = 1.74 gcm -3, Mo Ks, A -- 0.71069 ,~,\ud# = 3.08mm -l, R = 0.024 for 4075 observations\ud[I > 30"(/)]. The [{(CsHs)Fe(CsH4)I-CH2N(CH3)3] +\udcation is involved in a three-dimensional network of\udC--H...I- interactions (both the cation and anion\udresiding in general positions). The shortest C.-.I distances\udare 3.954 (2), 3.992 (2) and 4.009 (3) A. Hexa-Nmethylferrocene-\ud1,1'-diylbis(methylammonium iodide)\ud(2), [C18H30FeN2].2[I], Mr = 584.10, monoclinic,\udC2/c, a = 27.1457(12), b -- 12.3446(6), c =\ud14.5295 (10) ,A,, /3 = 115.909 (4) °, V = 4379.5 (4) A, 3,\udZ = 8, T = 293 K, F(000) = 2264, Dx -- 1.772gcm -3,\udMoKa, A = 0.71069A, # = 3.48mm -I, R =\ud0.031 for 4482 observations [I > 30"(/)]. In (2),\udthe [Fe{(CsHa)CH2-N(CH3)3}2] 2÷ cation (which has\udapproximate twofold symmetry) and one of the anions\udreside in general positions. Another iodide resides on a\udtwofold axis, while a third iodide lies on an inversion\udcentre. A more extensive three-dimensional network of\udC--H---I- interactions is present in (2) than in (1) and\udinvolves all three of the iodide anions. The shortest\udC--.I- contacts are 3.733 (4) and 3.848 (4) A~ and involve\udthe iodide which resides in a general position (all three\udiodides have C...I contacts < 4.1 A)