Information card for entry 2010369

Structure parameters

• Formula: C21 H26 N4 O5 S
• Calculated formula: C21 H26 N4 O5 S
• SMILES: COc1ccc(cc1N/N=C(\C(=O)Nc1ccccc1)C(=O)C)S(=O)(=O)N(CC)CC
• Title of publication: 2-[5-(Diethylaminosulfonyl)-2-methoxyphenylhydrazono]-3-oxo-<i>N</i>-phenylbutyramide
• Authors of publication: Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Guzel, B.; Serin, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 1
• Pages of publication: 139 - 141
• a: 12.3 ± 0.02 Å
• b: 9.02 ± 0.011 Å
• c: 11.482 ± 0.004 Å
• α: 117.1 ± 0.1°
• β: 88.79 ± 0.02°
• γ: 97.88 ± 0.01°
• Cell volume: 1122 ± 3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No