Information card for entry 7219976

Structure parameters

• Common name: 2-(4-bromophenyl)-3-nitro-2H-thiopyrano[2,3-b]quinoline
• Chemical name: 2-(4-bromophenyl)-3-nitro-2H-thiopyrano[2,3-b]quinoline
• Formula: C18 H11 Br N2 O2 S
• Calculated formula: C18 H11 Br N2 O2 S
• SMILES: Brc1ccc(C2C(=Cc3cc4ccccc4nc3S2)N(=O)=O)cc1
• Title of publication: Facile “on water” domino reactions for the expedient synthesis of 2H-thiopyrano[2,3-b]quinolines
• Authors of publication: Vivek Kumar, Sundaravel; Muthusubramanian, Shanmugam; Subbu, Perumal
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.5724 ± 0.0001 Å
• b: 12.7939 ± 0.0003 Å
• c: 19.4514 ± 0.0005 Å
• α: 90°
• β: 97.7056 ± 0.0014°
• γ: 90°
• Cell volume: 1620.83 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0402
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No