Information card for entry 2214408

Structure parameters

• Chemical name: 3-Methyl-N'-(2-thienylcarboxyl)butyrohydrazide
• Formula: C10 H16 N2 O3 S
• Calculated formula: C10 H16 N2 O3 S
• SMILES: s1c(ccc1)C(=O)NNC(=O)CC(C)C.O
• Title of publication: 3-Methyl-<i>N</i>'-(2-thienylcarboxyl)butyrohydrazide
• Authors of publication: Guo-Xiang Liu; Wen-Shi Wu; Hai-Ping Li; Guo-Dong Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3225 - o3225
• a: 6.5648 ± 0.0005 Å
• b: 7.3451 ± 0.0007 Å
• c: 25.956 ± 0.002 Å
• α: 90°
• β: 96.387 ± 0.004°
• γ: 90°
• Cell volume: 1243.81 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes