Information card for entry 8101660

Structure parameters

• Formula: C3 H8 Cl N3 O S
• Calculated formula: C3 H8 Cl N3 O S
• Title of publication: Crystal structure of 2-amino-5-methyl-3<i>H</i>-1,3,4-thiadiazolium chloride hydrate, [C~2~N~2~SH(CH~3~)(NH~2~)]^+^Cl^-^ · H~2~O
• Authors of publication: Pilz, Astrid; Müller, Ulrich; Díaz, Isabel; Fernández, Vicente
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1998
• Journal volume: 213
• Journal issue: 4
• Pages of publication: 773 - 774
• a: 5.2 ± 0.0014 Å
• b: 9.592 ± 0.002 Å
• c: 15.215 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 758.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0714
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No