Information card for entry 2003959

Structure parameters

• Formula: C10 H12 N2 O5 S
• Calculated formula: C10 H12 N2 O5 S
• SMILES: O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)O
• Title of publication: <i>N</i>-Benzenesulfonylglycylglycine, (I), and Tetrakis(μ-<i>N</i>-benzenesulfonylglycylglycinato)bis[aquacopper(II)](<i>Cu</i>—<i>Cu</i>)‒Water (1/4), (II)
• Authors of publication: Mukherjee, K.; Banerjee, T.; Roychowdhury, P.; Yamane, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2025 - 2028
• a: 14.98 ± 0.002 Å
• b: 6.05 ± 0.002 Å
• c: 13.31 ± 0.002 Å
• α: 90°
• β: 101.21 ± 0.07°
• γ: 90°
• Cell volume: 1183.3 ± 0.5 ų
• Cell temperature: 295 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.0567
• Goodness-of-fit parameter for significantly intense reflections: 1.17
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No