Information card for entry 1551789

Structure parameters

• Formula: C14 H18 N4 O3 S
• Calculated formula: C14 H18 N4 O3 S
• SMILES: N(/N=C(C)/c1nccnc1C)S(=O)(=O)c1ccc(cc1)C.O
• Title of publication: Crystal Structure of N′-(2-Acetyl-3-methylpyrazine)-4-toluene-sulfonylhydrazide
• Authors of publication: TAI, Xishi; FENG, Yimin; LIANG, Zupei
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2009
• Journal volume: 25
• Pages of publication: 17
• a: 7.1172 ± 0.0016 Å
• b: 15.099 ± 0.002 Å
• c: 7.5965 ± 0.0018 Å
• α: 90°
• β: 97.261 ± 0.002°
• γ: 90°
• Cell volume: 809.8 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No