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Information card for entry 7246943
Preview
| Coordinates | 7246943.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284638 (current) | 2023-06-29 | cif/ Adding structures of 7246943 via cif-deposit CGI script. |
7246943.cif |
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Users of the data should acknowledge the original authors of the
structural data.