Multipole refinement of 2-(indo1-3-y1)- 1,11,3,3-tetramethylthiouronium nitrate

Multipole refinement of 2-(indo1-3-y1)- 1,11,3,3-tetramethylthiouronium nitrate

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...

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Veröffentlicht in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2008-02, Vol.64 (2), p.o87-o90
Hauptverfasser: Lutz, Martin, Spek, Anthony L, Van Der Geer, Erwin P L, Van Koten, Gerard, Gebbink, Robertus J M Klein
Format: Artikel
Sprache:eng
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Zusammenfassung: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.
ISSN:0108-2701
DOI:10.1107/S0108270108000668