Information card for entry 4020924

Structure parameters

• Common name: 03141b
• Formula: C11 H8 N4 S
• Calculated formula: C11 H8 N4 S
• SMILES: S1N=C(Nc2c1nccn2)c1ccccc1
• Title of publication: Fused-Ring Thiadiazines: Preparation and Crystallographic Characterization of 3-Phenyl Derivative of Benzo-, Pyridio[2,3-e]-, Pyrazino[2,3-e]-, and Tetrafluorobenzo-[1,2,4]thiadiazines
• Authors of publication: Józef Zienkiewicz; Piotr Kaszynski; Victor G. Young, Jr.
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 2551 - 2561
• a: 8.4404 ± 0.0014 Å
• b: 12.304 ± 0.002 Å
• c: 20.759 ± 0.003 Å
• α: 80.261 ± 0.003°
• β: 81.795 ± 0.003°
• γ: 85.807 ± 0.003°
• Cell volume: 2100.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No