Information card for entry 4020380

Structure parameters

• Formula: C13 H10 N4 S
• Calculated formula: C13 H10 N4 S
• SMILES: S=C1N=N(c2ccccc2)=N(c2ccccc2)=N1
• Title of publication: Synthesis of 2,3-Diaryltetrazole-5-thiones and Theoretical Studies on Atomic Charge Distributions of 2,3-Diphenyltetrazole-5-thione
• Authors of publication: Fangfang Jian; Pusu Zhao; Lan Zhang; Yuxia Hou
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 8322 - 8326
• a: 14.755 ± 0.003 Å
• b: 12.198 ± 0.002 Å
• c: 6.98 ± 0.0014 Å
• α: 90°
• β: 97.27 ± 0.03°
• γ: 90°
• Cell volume: 1246.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No