Information card for entry 2207543

Structure parameters

• Common name: (2-Acryloylaminophenyl)arsonic acid
• Formula: C9 H10 As N O4
• Calculated formula: C9 H10 As N O4
• SMILES: [As](=O)(O)(O)c1c(NC(=O)C=C)cccc1
• Title of publication: (2-Acryloylaminophenyl)arsonic acid
• Authors of publication: Herrera, Ana M.; García-Serrano, Jesús; Alvarado-Rodríguez, José A.; Rivas-Silva, José Francisco; Pal, Umapada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2752 - m2754
• a: 8.2088 ± 0.0004 Å
• b: 8.3132 ± 0.0004 Å
• c: 8.5259 ± 0.0005 Å
• α: 99.432 ± 0.001°
• β: 97.766 ± 0.001°
• γ: 111.39 ± 0.001°
• Cell volume: 522.25 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No