Information card for entry 2235518

Structure parameters

• Chemical name: (<i>E</i>)-4-[4-(Diethylamino)benzylideneammonio]benzenesulfonate
• Formula: C17 H20 N2 O3 S
• Calculated formula: C17 H20 N2 O3 S
• SMILES: S(=O)(=O)([O-])c1ccc(/[NH+]=C/c2ccc(N(CC)CC)cc2)cc1
• Title of publication: (<i>E</i>)-4-[4-(Diethylamino)benzylideneammonio]benzenesulfonate
• Authors of publication: Ruanwas, Pumsak; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2155 - o2156
• a: 8.1227 ± 0.0001 Å
• b: 8.8745 ± 0.0001 Å
• c: 12.407 ± 0.0002 Å
• α: 69.386 ± 0.001°
• β: 72.442 ± 0.001°
• γ: 75.509 ± 0.001°
• Cell volume: 787.634 ± 0.019 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0396
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes