Information card for entry 2005421

Structure parameters

• Formula: C7 H8 Br N3 S
• Calculated formula: C7 H8 Br N3 S
• SMILES: NNC(=S)Nc1ccc(cc1)Br
• Title of publication: Biological Activity of 4-(4-Bromophenyl)thiosemicarbazide
• Authors of publication: Seth, S.; Biswas, A.; Banerjee, A.; Chattopadhyay, S. K.; Ghosh, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2377 - 2379
• a: 14.907 ± 0.007 Å
• b: 10.506 ± 0.004 Å
• c: 12.518 ± 0.003 Å
• α: 90°
• β: 104.07 ± 0.03°
• γ: 90°
• Cell volume: 1901.7 ± 1.3 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 1.54182 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No