Information card for entry 7246943

Structure parameters

• Formula: C11 H13 N O3
• Calculated formula: C11 H13 N O3
• SMILES: c1(ccccc1)/C=C(C(=O)C)\C(=O)N.O
• Title of publication: Synthesis and antibacterial activity of 2-benzylidene-3-oxobutanamide derivatives against resistant pathogens
• Authors of publication: Sood, Ankur; Kesavan, Venkitasamy
• Journal of publication: RSC Medicinal Chemistry
• Year of publication: 2023
• a: 11.111 ± 0.0007 Å
• b: 7.3567 ± 0.0004 Å
• c: 13.9127 ± 0.0008 Å
• α: 90°
• β: 98.039 ± 0.003°
• γ: 90°
• Cell volume: 1126.05 ± 0.11 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No