Information card for entry 2224787

Structure parameters

• Chemical name: <i>N</i>-(2,4,5-Trichlorophenyl)maleamic acid
• Formula: C10 H6 Cl3 N O3
• Calculated formula: C10 H6 Cl3 N O3
• SMILES: O=C(Nc1cc(Cl)c(cc1Cl)Cl)/C=C\C(=O)O
• Title of publication: <i>N</i>-(2,4,5-Trichlorophenyl)maleamic acid
• Authors of publication: Gowda, B. Thimme; Tokarčík, Miroslav; Kožíšek, Jozef; Shakuntala, K.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o182 - o183
• a: 10.8979 ± 0.0002 Å
• b: 11.0225 ± 0.0002 Å
• c: 19.4739 ± 0.0003 Å
• α: 90°
• β: 95.4761 ± 0.0009°
• γ: 90°
• Cell volume: 2328.57 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.033
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes