Information card for entry 1502633

Structure parameters

• Formula: C25 H20 N4 S2
• Calculated formula: C25 H20 N4 S2
• SMILES: N1(C/C(=C\c2sccc2)c2nc(N)c(c(c2C1)c1sccc1)C#N)Cc1ccccc1
• Title of publication: Diversity Synthesis of N-Substituted 2-Amino-1,6-naphthyridine Derivatives under Microwave Irradiation
• Authors of publication: Han, Zheng-Guo; Miao, Chun-Bao; Shi, Feng; Ma, Ning; Zhang, Ge; Tu, Shu-Jiang
• Journal of publication: Journal of Combinatorial Chemistry
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 1
• Pages of publication: 16
• a: 11.0619 ± 0.0012 Å
• b: 11.2598 ± 0.0013 Å
• c: 17.5329 ± 0.0019 Å
• α: 90°
• β: 93.662 ± 0.001°
• γ: 90°
• Cell volume: 2179.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3127
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No