Information card for entry 2228219

Structure parameters

• Common name: Diethyl 2-[(4-bromoanilino)methylidene]propanedioate
• Chemical name: Diethyl 2-[(4-bromoanilino)methylidene]malonate
• Formula: C14 H16 Br N O4
• Calculated formula: C14 H16 Br N O4
• SMILES: Brc1ccc(NC=C(C(=O)OCC)C(=O)OCC)cc1
• Title of publication: Diethyl 2-[(4-bromoanilino)methylidene]malonate
• Authors of publication: Feng, Zhi-Qiang; Yang, Xiao-Li; Ye, Yuan-Feng; Dong, Tao; Wang, Huai-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3119
• a: 9.244 ± 0.0018 Å
• b: 6.5 ± 0.0013 Å
• c: 13.448 ± 0.003 Å
• α: 90°
• β: 110.1 ± 0.03°
• γ: 90°
• Cell volume: 758.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.115
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes