Information card for entry 7134643

Structure parameters

• Formula: C15 H13 N O2 S
• Calculated formula: C15 H13 N O2 S
• Title of publication: Divergent [3+2] annulations of oxime acetates with thioaurones/aurones leading to benzothiazino-/benzoyl-pyrroles
• Authors of publication: Reddy, Chada Raji; Enagandhula, Damodar; Ramaraju, Andhavaram; Shivakrishna, Avula; Adepu, Raju
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 55
• Pages of publication: 10162 - 10165
• a: 13.5806 ± 0.0009 Å
• b: 13.6 ± 0.0009 Å
• c: 14.5161 ± 0.0011 Å
• α: 90°
• β: 101.264 ± 0.003°
• γ: 90°
• Cell volume: 2629.4 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No