Information card for entry 2218760

Structure parameters

• Chemical name: 1-[4-(Diaminomethyleneaminosulfonyl)phenyliminiomethyl]-2-naphtholate <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Formula: C24 H30 N6 O5 S
• Calculated formula: C24 H30 N6 O5 S
• SMILES: S(=O)(=O)(\N=C(/N)N)c1ccc(/[NH+]=C\c2c([O-])ccc3ccccc23)cc1.O=CN(C)C.O=CN(C)C
• Title of publication: 1-[4-(Diaminomethyleneaminosulfonyl)phenyliminiomethyl]-2-naphtholate <i>N</i>,<i>N</i>-dimethylformamide disolvate
• Authors of publication: El-Ghamry, Hoda; Issa, Raafat; El-Baradie, Kamal; Isagai, Keiko; Masaoka, Shigeyuki; Sakai, Ken
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1350 - o1351
• a: 8.591 ± 0.0011 Å
• b: 9.9101 ± 0.0012 Å
• c: 15.1762 ± 0.0019 Å
• α: 90°
• β: 106.327 ± 0.001°
• γ: 90°
• Cell volume: 1240 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes