Information card for entry 4022447

Structure parameters

• Chemical name: 2-hydroxylamino-4,5-dihydroimidazolium-O-sulfonate
• Formula: C3 H7 N3 O4 S
• Calculated formula: C3 H7 N3 O4 S
• SMILES: S(=O)(=O)(ONC1=[NH+]CCN1)[O-]
• Title of publication: Synthesis, Molecular Structure, and Applications of 2-Hydroxylamino-4,5-dihydroimidazolium-O-sulfonate to the Synthesis of Novel Heterocyclic Ring Systems
• Authors of publication: Franciszek Sączewski; Jarosław Sączewski; Maria Gdaniec
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 4791 - 4796
• a: 5.4594 ± 0.0003 Å
• b: 12.0514 ± 0.0007 Å
• c: 10.5212 ± 0.0006 Å
• α: 90°
• β: 102.393 ± 0.005°
• γ: 90°
• Cell volume: 676.1 ± 0.07 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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 all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4022442
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No