Information card for entry 2311512

Structure parameters

• Chemical name: <i>N</i>-[6-Amino-5-(benzo[<i>d</i>]thiazol-2-yl)-3-cyano-4-methylsulfanyl-2-oxo-1,2-dihydropyridin-1-yl]-4-methylbenzenesulfonamide dimethylformamide monosolvate
• Formula: C24 H24 N6 O4 S3
• Calculated formula: C24 H24 N6 O4 S3
• SMILES: s1c(nc2ccccc12)c1c(c(c(=O)n(c1N)NS(=O)(=O)c1ccc(cc1)C)C#N)SC.CN(C)C=O
• Title of publication: Crystal structure of <i>N</i>-[6-amino-5-(benzo[<i>d</i>]thia-zol-2-yl)-3-cyano-4-methyl-sulfanyl-2-oxo-1,2-di-hydro-pyridin-1-yl]-4-methyl-benzene-sulfonamide di-methyl-formamide monosolvate.
• Authors of publication: Azzam, Rasha A.; Elgemeie, Galal H.; Elsayed, Rasha E.; Jones, Peter G.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1820 - 1822
• a: 9.9916 ± 0.0005 Å
• b: 11.7805 ± 0.0006 Å
• c: 11.9776 ± 0.0006 Å
• α: 88.809 ± 0.004°
• β: 79.159 ± 0.004°
• γ: 67.245 ± 0.005°
• Cell volume: 1274.8 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No