Information card for entry 2213786

Structure parameters

• Chemical name: 3-N,N-dimethylhydrazino-2-methylsulfonyl propenenitrile
• Formula: C6 H11 N3 O2 S
• Calculated formula: C6 H11 N3 O2 S
• SMILES: S(=O)(=O)(C(=C/NN(C)C)/C#N)C
• Title of publication: 3-(Dimethylhydrazino)-2-(methylsulfonyl)propenenitrile
• Authors of publication: Gróf Martin; Kožíšek Jozef; Milata Viktor; Gatial Anton
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2820 - o2820
• a: 11.526 ± 0.002 Å
• b: 6.881 ± 0.001 Å
• c: 11.577 ± 0.002 Å
• α: 90°
• β: 106.06 ± 0.03°
• γ: 90°
• Cell volume: 882.3 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.067
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes