Information card for entry 2207303

Structure parameters

• Chemical name: (E)-3-(4-nitrophenylaminocarbonyl)propen-2-oic acid
• Formula: C10 H8 N2 O5
• Calculated formula: C10 H8 N2 O5
• SMILES: O=C(Nc1ccc(N(=O)=O)cc1)/C=C\C(=O)O
• Title of publication: A hydrogen-bonded chain of rings in (<i>E</i>)-3-(4-nitrophenylaminocarbonyl)prop-2-enoic acid
• Authors of publication: Wardell, James L.; Skakle, Janet M. S.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3849 - o3851
• a: 9.6052 ± 0.0007 Å
• b: 12.8416 ± 0.001 Å
• c: 9.0921 ± 0.0007 Å
• α: 90°
• β: 114.388 ± 0.002°
• γ: 90°
• Cell volume: 1021.41 ± 0.14 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.1095
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes