Information card for entry 2218129

Structure parameters

• Chemical name: 2-Acetyl-3-methylpyrazine phenylsulfonylhydrazone
• Formula: C13 H14 N4 O2 S
• Calculated formula: C13 H14 N4 O2 S
• SMILES: N(\N=C(C)\c1nccnc1C)S(=O)(=O)c1ccccc1
• Title of publication: 2-Acetyl-3-methylpyrazine phenylsulfonylhydrazone
• Authors of publication: Tai, Xi-Shi; Feng, Yi-Min; Kong, Fan-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o827
• a: 10.9848 ± 0.0015 Å
• b: 16.7921 ± 0.0018 Å
• c: 7.4817 ± 0.001 Å
• α: 90°
• β: 97.264 ± 0.001°
• γ: 90°
• Cell volume: 1369 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0763
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes