Information card for entry 7064257

Structure parameters

• Formula: C11 H10 Cl N O2 S
• Calculated formula: C11 H10 Cl N O2 S
• Title of publication: Rongalite as the C1 synthon to assemble 2,3-dihydrobenzothiazin-4-ones and benzo[d][1,3]oxathiin-4-ones
• Authors of publication: Zou, ShengLi; Zhou, Yihang; Chen, Xuerui; Liu, Xiaobing; Zhou, Yao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 9
• Pages of publication: 3926 - 3932
• a: 8.1568 ± 0.0005 Å
• b: 11.8101 ± 0.0008 Å
• c: 12.095 ± 0.0008 Å
• α: 90°
• β: 106.848 ± 0.002°
• γ: 90°
• Cell volume: 1115.13 ± 0.13 ų
• Cell temperature: 302 K
• Ambient diffraction temperature: 302 K
• Number of distinct elements: 6
• 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: 0.0647
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No