Information card for entry 2228140

Structure parameters

• Chemical name: Ethyl 3-[2-(<i>p</i>-tolylcarbamothioyl)hydrazinylidene]butanoate
• Formula: C14 H19 N3 O2 S
• Calculated formula: C14 H19 N3 O2 S
• SMILES: CCOC(=O)C/C(=N/NC(=S)Nc1ccc(cc1)C)C
• Title of publication: Ethyl 3-[2-(<i>p</i>-tolylcarbamothioyl)hydrazinylidene]butanoate
• Authors of publication: Zhang, Yan-Ling; Hou, Xu-Feng; Zhang, Fu-Juan; Yang, Feng-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2971
• a: 14.1747 ± 0.0003 Å
• b: 25.1439 ± 0.0004 Å
• c: 17.4381 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6215.07 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 73
• Hermann-Mauguin space group symbol: I b c a
• Hall space group symbol: -I 2b 2c
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes