Information card for entry 8107719

Structure parameters

• Common name: 4-(4-bromophenyl)-1-(propan-2-ylidene)thiosemi- carbazide
• Formula: C10 H12 Br N3 S
• Calculated formula: C10 H12 Br N3 S
• Title of publication: Crystal structure of 4-(4-bromophenyl)-1-(propan-2-ylidene)thiosemicarbazide, C10H12BrN3S
• Authors of publication: Madanhire, Tatenda; Abrahams, Abubak'r; Hosten, Eric C.; Betz, Richard
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2015
• Journal volume: 230
• Journal issue: 2
• Pages of publication: 67 - 68
• a: 8.561 ± 0.0002 Å
• b: 11.012 ± 0.0003 Å
• c: 13.214 ± 0.0004 Å
• α: 90°
• β: 107.345 ± 0.001°
• γ: 90°
• Cell volume: 1189.09 ± 0.06 ų
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• 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: 0.0249
• Weighted residual factors for significantly intense reflections: 0.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No