Information card for entry 8101266

Structure parameters

• Common name: S-p-nitrophenyl-S-phenyl-S-fluorothiazyne
• Formula: C12 H9 F N2 O2 S
• Calculated formula: C12 H9 F N2 O2 S
• Title of publication: Crystal structure of S-p-nitrophenyl-S-phenyl-S-fluorothiazyne, (C~6~H~5~) NFS(C~6~H~4~NO~2~)
• Authors of publication: Horn , E.; Dong, T.; Fujii, T.; Yoshimura, T.; Shimasaki, C.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2000
• Journal volume: 215
• Journal issue: 3
• Pages of publication: 357 - 358
• a: 8.638 ± 0.004 Å
• b: 14.07 ± 0.003 Å
• c: 10.735 ± 0.003 Å
• α: 90°
• β: 111.82 ± 0.02°
• γ: 90°
• Cell volume: 1211.2 ± 0.6 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0388
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No