Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate.
The cation of the title compound, C(13)H(18)N(3)S(+).NO(3)(-), 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.
Lutz
Martin
M
Crystal and Structural Chemistry, Bijvoet Center for Biomolecular Research, Faculty of Science, Utrecht University, Padualaan 8, 3584 CH Utrecht, The Netherlands. m.lutz@uu.nl
Spek
Anthony L
AL
van der Geer
Erwin P L
EP
van Koten
Gerard
G
Klein Gebbink
Robertus J M
RJ
D002412:Cations; D018360:Crystallography, X-Ray; D007211:Indoles / Q000737:chemistry*; D008782:Methylurea Compounds / Q000737:chemistry*; D015394:Molecular Structure; D009566:Nitrates / Q000737:chemistry*; D013452:Sulfonium Compounds / Q000737:chemistry*
C527869:2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate; D002412:Cations; D007211:Indoles; D008782:Methylurea Compounds; D009566:Nitrates; D013452:Sulfonium Compounds