Information card for entry 7251976

Structure parameters

• Formula: C10 H6 Cl N3 O3 S2
• Calculated formula: C10 H6 Cl N3 O3 S2
• Title of publication: New benzotriazole–sulfonate coupling reagents and applications
• Authors of publication: Roy, Sayanta; Mandal, Bhubaneswar
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 24659 - 24666
• a: 12.2804 ± 0.0006 Å
• b: 7.1009 ± 0.0003 Å
• c: 14.674 ± 0.0007 Å
• α: 90°
• β: 100.005 ± 0.001°
• γ: 90°
• Cell volume: 1260.14 ± 0.1 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0303
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No