Information card for entry 8101049

Structure parameters

• Formula: C7 H6 N2 S2
• Calculated formula: C7 H6 N2 S2
• SMILES: S=C1Sc2c(N1N)cccc2
• Title of publication: Crystal structure of 1-amino-2-thionebenzothiazole, C~7~H~6~N~2~S~2~
• Authors of publication: Tsanaktsidis, J.; Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 443 - 444
• a: 5.317 ± 0.002 Å
• b: 13.448 ± 0.005 Å
• c: 10.988 ± 0.006 Å
• α: 90°
• β: 93.89 ± 0.04°
• γ: 90°
• Cell volume: 783.8 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No