Information card for entry 8102449

Structure parameters

• Chemical name: 2-[(diisopropylcarbamoyl)methoxy]-N-benzyl-4-methylbenzamide
• Formula: C23 H30 N2 O3
• Calculated formula: C23 H30 N2 O3
• SMILES: O=C(NCc1ccccc1)c1ccc(cc1OCC(=O)N(C(C)C)C(C)C)C
• Title of publication: Crystal structure of 2-[(diisopropylcarbamoyl)methoxy]-N-benzyl-4-methylbenzamide, C23H30N2O3
• Authors of publication: Tian-Pin Shu; Su-Zhen Chen; Dong-Guo Xia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 3
• Pages of publication: 485
• a: 9.54 ± 0.004 Å
• b: 10.913 ± 0.005 Å
• c: 12.039 ± 0.005 Å
• α: 116.285 ± 0.005°
• β: 105.502 ± 0.005°
• γ: 90.731 ± 0.005°
• Cell volume: 1070.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2703
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No