Information card for entry 8101558

Structure parameters

• Formula: C5 H9 N O3 S
• Calculated formula: C5 H9 N O3 S
• SMILES: S(C(C(=O)OCC)=NO)C
• Title of publication: Crystal structure of ethyl (Z)-2-hydroxyimino-2-(methylsulfanyl)acetate, C~5~H~9~SNO~3~
• Authors of publication: Cousson, Alain; Coustard, Jean-Marie
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 1999
• Journal volume: 214
• Journal issue: 4
• Pages of publication: 469 - 470
• a: 5.278 ± 0.003 Å
• b: 8.235 ± 0.004 Å
• c: 9.667 ± 0.002 Å
• α: 95.26 ± 0.04°
• β: 103.68 ± 0.04°
• γ: 102.16 ± 0.04°
• Cell volume: 394.7 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 300 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 significantly intense reflections: 0.065575
• Weighted residual factors for significantly intense reflections: 0.078575
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No