Information card for entry 8101322

Structure parameters

• Formula: C16 H14 N2 S3
• Calculated formula: C16 H14 N2 S3
• SMILES: S(Cc1ccccc1)c1sc(SCc2ccccc2)nn1
• Title of publication: Crystal structure of 2,5-di-S-benzyl(1-thia-3,4-diazacyclopenta-2, 5-diene), C~16~H~14~N~2~S~3~
• Authors of publication: Tarafder, M. T. H.; Saravanan, N.; Crouse, K. A.; Yamin, Bohari M.; Raj, S. Shanmuga Sundara; Razak, I. A.; Fun, Hoong-Kun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 4
• Pages of publication: 485 - 486
• a: 8.7643 ± 0.0001 Å
• b: 10.3305 ± 0.0002 Å
• c: 36.0581 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3264.69 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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