Information card for entry 7122482

Structure parameters

• Formula: C16 H14 N2 O3 S
• Calculated formula: C16 H14 N2 O3 S
• Title of publication: NaHS·nH₂O-induced umpolung: the synthesis of 2-acyl-3-aminoindoles from aryl methyl ketones and 2-aminobenzonitriles.
• Authors of publication: Geng, Xiao; Wu, Xia; Wang, Can; Zhao, Peng; Zhou, You; Sun, Xuan; Wang, Ling-Jiao; Guan, Wen-Juan; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 90
• Pages of publication: 12730 - 12733
• a: 5.7269 ± 0.0007 Å
• b: 28.551 ± 0.004 Å
• c: 8.8421 ± 0.0011 Å
• α: 90°
• β: 103.507 ± 0.002°
• γ: 90°
• Cell volume: 1405.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No