Information card for entry 2021692

Structure parameters

• Chemical name: 2-(4-Nitrobenzenesulfonamido)benzoic acid
• Formula: C13 H10 N2 O6 S
• Calculated formula: C13 H10 N2 O6 S
• SMILES: S(=O)(=O)(Nc1c(C(=O)O)cccc1)c1ccc(N(=O)=O)cc1
• Title of publication: Synthesis, crystal structure and studies on the interaction with albumin of a new silver(I) complex based on 2-(4-nitrobenzenesulfonamido)benzoic acid
• Authors of publication: Bomfim Filho, Lucius Flavius Ourives; Rocha, Cleidivania; Rodrigues, Bernardo Lages; Beraldo, Heloisa; Teixeira, Leticia Regina
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 1011 - 1020
• a: 6.914 ± 0.0003 Å
• b: 10.0641 ± 0.0005 Å
• c: 10.1532 ± 0.0005 Å
• α: 102.153 ± 0.004°
• β: 100.951 ± 0.004°
• γ: 99.745 ± 0.004°
• Cell volume: 661.77 ± 0.06 ų
• Cell temperature: 300.7 ± 0.14 K
• Ambient diffraction temperature: 300.7 ± 0.14 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: 0.0486
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes