Information card for entry 7215938

Structure parameters

• Common name: methyldiiodo sulfonylhydrazone
• Chemical name: methyldiiodo sulfonylhydrazone
• Formula: C20 H16 I2 N2 O2 S
• Calculated formula: C20 H16 I2 N2 O2 S
• SMILES: c1(ccc(cc1)S(=O)(=O)NN=C(c1ccc(cc1)I)c1ccc(cc1)I)C
• 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: 11.6335 ± 0.0016 Å
• b: 11.6089 ± 0.0016 Å
• c: 15.843 ± 0.002 Å
• α: 90°
• β: 96.67 ± 0.002°
• γ: 90°
• Cell volume: 2125.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No