Information card for entry 2005981

Structure parameters

• Formula: C21 H17 N3 S
• Calculated formula: C21 H17 N3 S
• Title of publication: 3-Anilino-<i>N</i>-phenyl-1<i>H</i>-indole-2-carbothioamide
• Authors of publication: Jing, L.; He-Liang, F.; Jie, S.; Wei-Xing, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 320 - 322
• a: 13.991 ± 0.001 Å
• b: 5.748 ± 0.001 Å
• c: 21.569 ± 0.002 Å
• α: 90°
• β: 90.619 ± 0.008°
• γ: 90°
• Cell volume: 1734.5 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No