Abstract
AbstractThe reaction of 1‐methyl‐2‐mercaptoimidazole (methimazole) with chloromethyldimethylchlorosilane (ClCH2)Si(CH3)2Cl in the presence of triethylamine afforded the 1‐methylimidazol‐2‐ylthiomethyl‐substituted silane 1. The pentacoordinate silicon atom of 1 is housed within an almost trigonal bipyramidal coordination sphere, i.e., the three equatorially situated C–Si–C angles sum up to 359.5(3)°. The axial situation of the still Si‐bound chlorine atom with its remarkably long Si‐Cl separation of 2.5123(3) Å and a trans‐situated imidazolyl nitrogen donor constitute a very polar molecule, the resulting intermolecular interactions of which in the solid state were investigated crystallographically and by 29Si CP/MAS NMR spectroscopy. Single crystals of 1 revealed significantly lower susceptibility towards temperature changes along the crystallographic a‐axis, which is the axis along which chains of the polar molecules are aligned. Hence, the 29Si NMR shielding tensor, experimentally determined by CP/MAS NMR spectroscopy, could only be simulated to a satisfactory extent when taking these intermolecular interactions into account.
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