Information card for entry 2236318

Structure parameters

• Chemical name: 2-[(Phenylcarbamoyl)amino]butyl <i>N</i>-phenylcarbamate
• Formula: C18 H21 N3 O3
• Calculated formula: C18 H21 N3 O3
• SMILES: O=C(OCC(NC(=O)Nc1ccccc1)CC)Nc1ccccc1
• Title of publication: 2-[(Phenylcarbamoyl)amino]butyl <i>N</i>-phenylcarbamate
• Authors of publication: Mohamed, Shaaban K.; Bogdanović, Goran A.; Akkurt, Mehmet; Abdelhamid, Antar A.; Younes, Sabry H. H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2905
• a: 10.722 ± 0.005 Å
• b: 22.297 ± 0.003 Å
• c: 9.109 ± 0.003 Å
• α: 90°
• β: 123.57 ± 0.006°
• γ: 90°
• Cell volume: 1814.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1337
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes