Information card for entry 2202761

Structure parameters

• Chemical name: 1-{(2E)-2-[(Aminocarbonothioyl)hydrazono]-2-(3-mesityl-3- methylcyclobutyl)ethyl}pyrrolidine-2,5-dione
• Formula: C21 H28 N4 O2 S
• Calculated formula: C21 H28 N4 O2 S
• SMILES: O=C1CCC(=O)N1C/C(=N\NC(=S)N)C1CC(C)(C1)c1c(C)cc(cc1C)C
• Title of publication: 1-{(2<i>E</i>)-2-[(Aminocarbonothioyl)hydrazono]-2-(3-mesityl-3-methylcyclobutyl)ethyl}pyrrolidine-2,5-dione
• Authors of publication: Karakurt, Tuncay; Dinçer, Muharrem; Yılmaz, İbrahim; Çukurovalı, Alaaddın
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: o1997 - o1999
• a: 8.872 ± 0.0007 Å
• b: 10.81 ± 0.0011 Å
• c: 21.9284 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2103.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes