Information card for entry 7054869

Structure parameters

• Formula: C11 H14 N2 O3 S
• Calculated formula: C11 H14 N2 O3 S
• SMILES: S(=O)(=O)(N1CCC1)c1ccc(NC(=O)C)cc1
• Title of publication: Synthesis of novel sulfonamide azoles via C‒N cleavage of sulfonamides by azole ring and relational antimicrobial study
• Authors of publication: Zhang, Hui-Zhen; Jeyakkumar, Ponmani; Vijaya Kumar, Kannekanti; Zhou, Cheng-He
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 7
• Pages of publication: 5776
• a: 12.9357 ± 0.0016 Å
• b: 19.6992 ± 0.0007 Å
• c: 7.3342 ± 0.0009 Å
• α: 90°
• β: 139.81 ± 0.03°
• γ: 90°
• Cell volume: 1206.1 ± 0.8 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No