Information card for entry 1551586

Structure parameters

• Common name: 1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide
• Chemical name: 1-[4-(trifluoromethyl)benzylidene]thiosemicarbazide
• Formula: C9 H8 F3 N3 S
• Calculated formula: C9 H8 F3 N3 S
• Title of publication: Crystal Structure of (<i>Z</i>)-1-[4-(Trifluoromethyl)benzylidene]thiosemicarbazide
• Authors of publication: OSMAN, Uwaisulqarni M.; FARIZAL, Azieda Syafika N.; ARSHAD, Suhana; KADIR, Maisara Abdul
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 3
• a: 7.0109 ± 0.0008 Å
• b: 11.7862 ± 0.0013 Å
• c: 14.9095 ± 0.0016 Å
• α: 111.814 ± 0.002°
• β: 91.72 ± 0.002°
• γ: 101.036 ± 0.002°
• Cell volume: 1115.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No