Information card for entry 2225646

Structure parameters

• Common name: <i>N</i>-Saccharinylmethyl ether
• Chemical name: 1,1,1',1'-tetraoxo-2,2'-(oxydimethylene)bi(1,2-benzothiazol-3-one)
• Formula: C16 H12 N2 O7 S2
• Calculated formula: C16 H12 N2 O7 S2
• SMILES: S1(=O)(=O)N(C(=O)c2ccccc12)COCN1S(=O)(=O)c2ccccc2C1=O
• Title of publication: <i>N</i>-Saccharinylmethyl ether
• Authors of publication: Siddiqui, Waseeq Ahmad; Akhtar, Yasmeen; Akmal, Muhammad; Siddiqui, Hamid Latif; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o929
• a: 8.9317 ± 0.0004 Å
• b: 18.3681 ± 0.0006 Å
• c: 10.1942 ± 0.0005 Å
• α: 90°
• β: 93.517 ± 0.002°
• γ: 90°
• Cell volume: 1669.29 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0649
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes