Information card for entry 4020925

Structure parameters

• Common name: 03140a
• Formula: C13 H6 F4 N2 S
• Calculated formula: C13 H6 F4 N2 S
• SMILES: S1c2c(NC(=N1)c1ccccc1)c(c(c(c2F)F)F)F
• 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: 14.189 ± 0.005 Å
• b: 6.783 ± 0.003 Å
• c: 24.549 ± 0.009 Å
• α: 90°
• β: 102.298 ± 0.006°
• γ: 90°
• Cell volume: 2308.5 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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