Information card for entry 7062722

Structure parameters

• Chemical name: N-(butylcarbamoyl)-4-methoxybenzamide
• Formula: C13 H18 N2 O3
• Calculated formula: C13 H18 N2 O3
• Title of publication: Isosteric O/S exchange in carbonyl(thio)ureides: molecular interactions, structure, and bioactivity assays
• Authors of publication: Aguilar, E. Contreras; Cogollo, E. Espitia; Echeverría, G. A.; Piro, O. E.; Jios, J. L.; Ulic, S. E.; Molina, R. D. I.; Arena, M. E.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 18341 - 18353
• a: 4.8639 ± 0.0002 Å
• b: 15.2441 ± 0.0007 Å
• c: 18.5621 ± 0.0008 Å
• α: 90°
• β: 96.637 ± 0.004°
• γ: 90°
• Cell volume: 1367.08 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No