Information card for entry 2220494

Structure parameters

• Chemical name: 3-Aminophenyl naphthalene-1-sulfonate
• Formula: C16 H13 N O3 S
• Calculated formula: C16 H13 N O3 S
• SMILES: c1(cccc2ccccc12)S(=O)(=O)Oc1cccc(c1)N
• Title of publication: 3-Aminophenyl naphthalene-1-sulfonate
• Authors of publication: Vennila, Jasmine P.; Kavitha, Helen P.; Thiruvadigal, D. John; Venkatraman, B. R.; Manivannan, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o72
• a: 8.4558 ± 0.0002 Å
• b: 8.6712 ± 0.0003 Å
• c: 19.5915 ± 0.0006 Å
• α: 90°
• β: 100.321 ± 0.002°
• γ: 90°
• Cell volume: 1413.24 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes