Crystal structure of 2-amino-5-methylsulfanyl-1,3,4-thiadiazol-3-ium chloride monohydrate
The title salt, C3H6N3S2+·Cl−·H2O, crystallized with two organic cations, two chloride anions and two water molecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected via N—H...O, N—H...Cl an...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2014-09-01
|
| Series: | Acta Crystallographica Section E |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536814015864 |
| Summary: | The title salt, C3H6N3S2+·Cl−·H2O, crystallized with two organic cations, two chloride anions and two water molecules in the asymmetric unit. The methyl C atoms deviate from their respective bound ring planes by 0.081 and 0.002 Å. In the crystal, the components are connected via N—H...O, N—H...Cl and O—H...Cl hydrogen bonds, forming sheets lying parallel to (100). The sheets are linked into bilayers by O—H...Cl hydrogen bonds involving the chloride ions and water molecules. Within the bilayers there are π–π interactions [inter-centroid distances = 3.4654 (4) and 3.4789 (4) Å] involving inversion-related cations. |
|---|---|
| ISSN: | 1600-5368 |