Information card for entry 7215939

Structure parameters

• Common name: tribromo sulfonylhydrazone
• Chemical name: tribromo sulfonylhydrazone
• Formula: C19 H13 Br3 N2 O2 S
• Calculated formula: C19 H13 Br3 N2 O2 S
• SMILES: Brc1ccc(cc1)S(=O)(=O)NN=C(c1ccc(Br)cc1)c1ccc(Br)cc1
• Title of publication: Polymorphism and isostructurality in sulfonylhydrazones
• Authors of publication: Thakuria, Ranjit; Nath, Naba K.; Roy, Saikat; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4681
• a: 23.334 ± 0.008 Å
• b: 11.594 ± 0.004 Å
• c: 15.6 ± 0.005 Å
• α: 90°
• β: 103.035 ± 0.005°
• γ: 90°
• Cell volume: 4112 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No