Information card for entry 1517931

Structure parameters

• Formula: C18 H16 N4 O2 S
• Calculated formula: C18 H16 N4 O2 S
• SMILES: S(=O)(=O)(N=C1N(c2ccccc2C1=N#N)CC=C)c1ccc(cc1)C
• Title of publication: Preparation of 3-Diazoindolin-2-imines via Cascade Reaction between Indoles and Sulfonylazides and Their Extensions to 2,3-Diaminoindoles and Imidazo[4,5-b]indoles.
• Authors of publication: Sheng, Guorong; Huang, Kai; Chi, Zhihao; Ding, Hualong; Xing, Yanpeng; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 5096 - 5099
• a: 7.985 ± 0.0015 Å
• b: 9.3841 ± 0.0019 Å
• c: 13.287 ± 0.003 Å
• α: 87.148 ± 0.017°
• β: 73.581 ± 0.018°
• γ: 68.814 ± 0.018°
• Cell volume: 888.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No