Information card for entry 2223029

Structure parameters

• Chemical name: 1,3-Bis(2-quinolylcarbonyl)-1<i>H</i>,3<i>H</i>-2,1,3-benzothiadiazole 2-oxide
• Formula: C26 H16 N4 O3 S
• Calculated formula: C26 H16 N4 O3 S
• SMILES: S1(N(c2ccccc2N1C(=O)c1nc2ccccc2cc1)C(=O)c1nc2ccccc2cc1)=O
• Title of publication: 1,3-Bis(2-quinolylcarbonyl)-1<i>H</i>,3<i>H</i>-2,1,3-benzothiadiazole 2-oxide
• Authors of publication: Jing, Lin-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2227
• a: 8.0914 ± 0.0005 Å
• b: 10.292 ± 0.0006 Å
• c: 12.8843 ± 0.0007 Å
• α: 93.232 ± 0.002°
• β: 93.791 ± 0.002°
• γ: 101.746 ± 0.002°
• Cell volume: 1045.51 ± 0.11 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes