6-(3-Bromobenzylamino)purin-3-ium chloride
✍ Scribed by Trávníček, Zdeněk ;Matiková-Maľarová, Miroslava
- Publisher
- International Union of Crystallography
- Year
- 2006
- Tongue
- English
- Weight
- 296 KB
- Volume
- 62
- Category
- Article
- ISSN
- 1600-5368
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📜 SIMILAR VOLUMES
Single-crystal X-ray study T = 110 K Mean (C-C) = 0.004 A Disorder in solvent or counterion R factor = 0.036 wR factor = 0.106 Data-to-parameter ratio = 12.1 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.
In the title compound, C~4~H~5~ClN~3~ ^+^·Cl^−^, the cation is effectively planar and is protonated at the N atom adjacent to the amino group. Four different N—H...Cl hydrogen bonds serve to connect the constituent ions into supramolecular double chains running parallel to the __b__ axis.
The cation of the title molecule, C~5~H~5~N~4~ ^+^·Cl^−^, is strictly planar; it occupies a special position on a mirror plane. The protonation of the heterocycle takes place, as expected, at an N atom of the imidazole ring. This H atom is hydrogen bonded to the chloride anion.
ÁBr À ÁH 2 O, was determined at 150 K. It is a supramolecular adduct of imidazolium bromide and water molecules. Helical chains of (H 2 OÁBr À ) exist in the structure along the [001] direction. Each chain forms extensive hydrogen bonds with the imidazolium cations.
The title compound, C 17 H 19 N 2 S + ÁCl À , is a 5,6-dihydro-4H-1,3thiazine derivative in which two benzene rings replace H atoms at positions 4 and 6 of the central ring, which adopts a slightly twisted half-chair conformation at 173 K. The crystal structure is stabilized by weak intermolecular N