Multipole refinement of 2-(indol-3-yl)-1,1,3,3-tetramethylthiouronium nitrate
| Autor: | Erwin P. L. van der Geer, Gerard van Koten, Martin Lutz, Robertus J. M. Klein Gebbink, Anthony L. Spek |
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| Rok vydání: | 2008 |
| Předmět: |
Indole test
Methylurea Compounds Electron density Indoles Nitrates Molecular Structure Hydrogen bond Chemistry Stereochemistry Sulfonium Compounds General Medicine Crystal structure Crystallography X-Ray General Biochemistry Genetics and Molecular Biology Crystal Crystallography Group (periodic table) Cations Single bond Moiety |
| Zdroj: | Acta Crystallographica Section C Crystal Structure Communications. 64:o87-o90 |
| ISSN: | 0108-2701 |
| DOI: | 10.1107/s0108270108000668 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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