Information card for entry 7160927

Structure parameters

• Formula: C16 H10 Cl N S
• Calculated formula: C16 H10 Cl N S
• Title of publication: TfOH-triggered denitrogenative union of diazo carbonyl compounds and indolin-2-thiones toward functionalized indole derivatives and their preliminary anticancer assessment.
• Authors of publication: Sable, Sakshi Haridas; Ambadipudi, S. S. S. S. Sudha; Andugulapati, Sai Balaji; Balasubramani, Alagesan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 8
• Pages of publication: 1697 - 1702
• a: 7.6596 ± 0.0004 Å
• b: 10.8313 ± 0.0005 Å
• c: 16.1412 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1339.13 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No