Information card for entry 2239151

Structure parameters

• Chemical name: Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate
• Formula: C12 H11 Cl3 N2 O4
• Calculated formula: C12 H11 Cl3 N2 O4
• SMILES: COC(=O)C(=N/Nc1c(Cl)cc(cc1Cl)Cl)/CC(=O)OC
• Title of publication: Dimethyl 2-[2-(2,4,6-trichlorophenyl)hydrazin-1-ylidene]butanedioate
• Authors of publication: Usha, M. K.; Shetty, Shobhitha; Kalluraya, B.; Kant, Rajni; Gupta, Vivek K.; Revannasiddaiah, D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o13
• a: 7.0182 ± 0.0005 Å
• b: 16.0165 ± 0.0012 Å
• c: 26.7488 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3006.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes