Information card for entry 8106969

Structure parameters

• Formula: C15 H9 F N4 S
• Calculated formula: C15 H9 F N4 S
• Title of publication: Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
• Authors of publication: Al-Alshaikh, Monirah A.; Ghabbour, Hazem A.; Abdelbaky, Mohammed S. M.; García-Granda, Santiago; El-Emam, Ali A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 661 - 663
• a: 18.9361 ± 0.0002 Å
• b: 11.5248 ± 0.0001 Å
• c: 6.0142 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1312.51 ± 0.03 ų
• Cell temperature: 100 ± 0.14 K
• Ambient diffraction temperature: 100 ± 0.14 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No