Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate
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Publication date
2008
Authors
Lutz, M.
Spek, A.L.
van der Geer, E.P.L.
van Koten, G.
Klein Gebbink, R.J.M.
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Abstract
The cation of the title compound, C13H18N3S+·NO3-, consists of two subunits, viz. a planar indole moiety and a nonplanar thiouronium moiety. An isolated intermolecular hydrogen bond connects the cation with the nitrate anion. The crystal packing is additionally characterized by short intermolecular contacts between parallel indole systems. A topological analysis of the electron density revealed C-S single bonds and partial double bonding in the N-C-N group.
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Lutz, M, Spek, A L, van der Geer, E P L, van Koten, G & Klein Gebbink, R J M 2008, 'Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate', Acta Crystallographica. Section C, Crystal Structure Communications, vol. 62, no. 2, pp. o87-o90.