Information card for entry 2218130

Structure parameters

• Chemical name: 4-(Diethylamino)salicylaldehyde phenylsulfonylhydrazone
• Formula: C17 H21 N3 O3 S
• Calculated formula: C17 H21 N3 O3 S
• SMILES: CCN(c1ccc(c(c1)O)/C=N/NS(=O)(=O)c1ccccc1)CC
• Title of publication: 4-(Diethylamino)salicylaldehyde phenylsulfonylhydrazone
• Authors of publication: Tai, Xi-Shi; Feng, Yi-Min; Kong, Fan-Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o865
• a: 29.874 ± 0.003 Å
• b: 7.5153 ± 0.0012 Å
• c: 15.4456 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3467.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes