Information card for entry 7055413

Structure parameters

• Formula: C17 H16 N4 O4 S
• Calculated formula: C17 H16 N4 O4 S
• SMILES: c1(ccc(cc1N=Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1)C)O
• Title of publication: The structural characterization and biological activity of sulfamethoxazolyl-azo-p-cresol, its copper(ii) complex and their theoretical studies
• Authors of publication: Sahu, Nilima; Das, Dipankar; Mondal, Sudipa; Roy, Suman; Dutta, Paramita; Sepay, Nayim; Gupta, Suvroma; López-Torres, Elena; Sinha, Chittaranjan
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 6
• Pages of publication: 5019
• a: 29.8607 ± 0.0016 Å
• b: 6.3552 ± 0.0004 Å
• c: 17.473 ± 0.0011 Å
• α: 90°
• β: 95.254 ± 0.003°
• γ: 90°
• Cell volume: 3301.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No