Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate

Multipole refinement of 2-(indol-3-yl)-1,1,3,3-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., Geer, Erwin P. L. van der, Koten, Gerard van, Klein Gebbink, Robertus J. M.
Format: Artikel
Sprache:eng
Schlagworte:
Cations
Chemical compounds
Crystal structure
Crystallography
Crystallography, X-Ray
Hydrogen bonds
Indoles - chemistry
Methylurea Compounds - chemistry
Molecular Structure
Nitrates - chemistry
Sulfonium Compounds - chemistry
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Beschreibung
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
1600-5759
DOI:10.1107/S0108270108000668