Information card for entry 1508378

Structure parameters

• Formula: C5 H7 N5 O2 S
• Calculated formula: C5 H7 N5 O2 S
• SMILES: S(=O)(=O)(n1c(ncc1)CC)N=N#N
• Title of publication: Crystal Structure of 2-Ethylimidazole-1-sulfonyl Azide: A New Azidation Reagent
• Authors of publication: Laus, Gerhard; Adamer, Verena; Hummel, Michael; Kahlenberg, Volker; Wurst, Klaus; Nerdinger, Sven; Schottenberger, Herwig
• Journal of publication: Crystals
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 118 - 126
• a: 8.0815 ± 0.0007 Å
• b: 10.0732 ± 0.0009 Å
• c: 10.7291 ± 0.001 Å
• α: 90°
• β: 100.383 ± 0.007°
• γ: 90°
• Cell volume: 859.12 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No