Information card for entry 8100452

Structure parameters

• Formula: C7 H10 N4 O2 S
• Calculated formula: C7 H10 N4 O2 S
• SMILES: S=C(NNC(=O)c1ncccc1)N.O
• Title of publication: Crystal structure of (2-picoloylcarbonyl)thiosemicarbazone, C~7~H~10~N~4~O~2~S
• Authors of publication: Wu, Wen-shi; Feng, Yun-Long
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 527 - 528
• a: 12.1705 ± 0.0009 Å
• b: 7.4205 ± 0.0017 Å
• c: 22.7584 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2055.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No