Information card for entry 2234610

Structure parameters

• Chemical name: 2-(Ethylsulfinyl)imidazo[1,2-<i>a</i>]pyridine-3-sulfonamide
• Formula: C9 H11 N3 O3 S2
• Calculated formula: C9 H11 N3 O3 S2
• SMILES: S(=O)(c1nc2n(cccc2)c1S(=O)(=O)N)CC
• Title of publication: 2-(Ethylsulfinyl)imidazo[1,2-<i>a</i>]pyridine-3-sulfonamide
• Authors of publication: Gong, Yaling; Ma, Haixia; Li, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1342
• a: 8.3761 ± 0.0009 Å
• b: 8.5438 ± 0.0009 Å
• c: 9.1083 ± 0.001 Å
• α: 88.832 ± 0.002°
• β: 75.376 ± 0.001°
• γ: 65.17 ± 0.001°
• Cell volume: 569.67 ± 0.11 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: 0.0297
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes