Information card for entry 2210552

Structure parameters

• Chemical name: N,N'-Bis(2-hydroxyphenyl)naphthalene-1,4-dicarboxamide dimethyl sulfoxide solvate
• Formula: C26 H24 N2 O5 S
• Calculated formula: C26 H24 N2 O5 S
• SMILES: O=C(c1ccc(c2c1cccc2)C(=O)Nc1ccccc1O)Nc1ccccc1O.CS(=O)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-hydroxyphenyl)naphthalene-1,4-dicarboxamide dimethyl sulfoxide solvate
• Authors of publication: Lin-Hai Jing; Huan-Xia Zhang; Shao-Jin Gu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4583 - o4584
• a: 9.5769 ± 0.0003 Å
• b: 9.6804 ± 0.0002 Å
• c: 13.0811 ± 0.0003 Å
• α: 109.796 ± 0.001°
• β: 98.157 ± 0.001°
• γ: 91.369 ± 0.001°
• Cell volume: 1126.14 ± 0.05 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: 0.0378
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes