Information card for entry 1558161

Structure parameters

• Common name: Dipropylammonium 4-aminobenzenesulfonate
• Chemical name: Dipropylazanium 4-aminobenzenesulfonate
• Formula: C12 H22 N2 O3 S
• Calculated formula: C12 H22 N2 O3 S
• SMILES: c1(ccc(cc1)N)S(=O)(=O)[O-].CCC[NH2+]CCC
• Title of publication: Dipropylammonium 4-aminobenzenesulfonate
• Authors of publication: Sarr, Bougar; Mbaye, Abdou; Touré, Assane; Diop, Cheikh Abdoul Khadir; Sidibé, Mamadou; Michaud, François
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 5
• Pages of publication: x200659
• a: 10.2564 ± 0.0007 Å
• b: 6.5369 ± 0.0005 Å
• c: 10.9683 ± 0.0009 Å
• α: 90°
• β: 95.067 ± 0.007°
• γ: 90°
• Cell volume: 732.5 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No