Information card for entry 2312729

Structure parameters

• Chemical name: <i>N</i>-(5-Nitrothiazol-2-yl)furan-2-carboxamide
• Formula: C8 H5 N3 O4 S
• Calculated formula: C8 H5 N3 O4 S
• Title of publication: Synthesis, XRD structural analysis and theoretical studies of a potential inhibitor against rheumatoid arthritis (RA).
• Authors of publication: Monge-Hoyos, Kevin; Moreno-Fuquen, Rodolfo; Arango-Daraviña, Kevin; Ellena, Javier; Santiago, Pedro H. O.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: Pt 11
• Pages of publication: 707 - 715
• a: 12.8126 ± 0.0004 Å
• b: 13.0399 ± 0.0005 Å
• c: 5.6276 ± 0.0001 Å
• α: 90°
• β: 98.022 ± 0.002°
• γ: 90°
• Cell volume: 931.03 ± 0.05 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0629
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes