Information card for entry 2203741

Structure parameters

• Chemical name: N-(4-Acetylphenyl)-N'-[(4-sydnone-3-yl)phenyl]urea dimethylformamide solvate
• Formula: C20 H21 N5 O5
• Calculated formula: C20 H21 N5 O5
• SMILES: O1N=N(=CC1=O)c1ccc(NC(=O)Nc2ccc(cc2)C(=O)C)cc1.O=CN(C)C
• Title of publication: <i>N</i>-(4-Acetylphenyl)-<i>N</i>'-[(4-sydnon-3-yl)phenyl]urea dimethylformamide solvate
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Sathishkumar, P.; Latthe, Prashant R.; Badami, Bharati; Ravikumar, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o1015 - o1016
• a: 7.7954 ± 0.0008 Å
• b: 8.3922 ± 0.0008 Å
• c: 16.9225 ± 0.0017 Å
• α: 79.057 ± 0.002°
• β: 84.267 ± 0.002°
• γ: 65.049 ± 0.002°
• Cell volume: 985.26 ± 0.17 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes