Information card for entry 4020381

Structure parameters

• Formula: C7.5 H7 N2 S0.5
• Calculated formula: C7.5 H7 N2 S0.5
• 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: 18.381 ± 0.004 Å
• b: 6.1799 ± 0.0012 Å
• c: 6.1865 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 702.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No