Information card for entry 8101323

Structure parameters

• Formula: C15 H12 N2 S2
• Calculated formula: C15 H12 N2 S2
• SMILES: s1c(nnc1SCc1ccccc1)c1ccccc1
• Title of publication: Crystal structure of 2-S-benzyl-5-phenyl-1-(1-thia-3,4-diazacyclopenta- 2,4-diene), C~15~H~12~N~2~S~2~
• Authors of publication: Tarafder, M. T. H.; Azahari, K.; Crouse, K. A.; Yamin, B. M.; Sundara Raj, S. Shanmuga; Ibrahim, A. R.; 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: 487 - 488
• a: 5.6723 ± 0.0001 Å
• b: 30.5425 ± 0.0006 Å
• c: 7.9336 ± 0.0002 Å
• α: 90°
• β: 100.782 ± 0.001°
• γ: 90°
• Cell volume: 1350.2 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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