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Information card for entry 2022768
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| Coordinates | 2022768.cif |
|---|---|
| Structure factors | 2022768.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-Benzo[<i>d</i>][1,3]dioxole-5-carbaldehyde oxime |
|---|---|
| Formula | C8 H7 N O3 |
| Calculated formula | C8 H7 N O3 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of (<i>E</i>)-benzo[<i>d</i>][1,3]dioxole-5-carbaldehyde oxime. |
| Authors of publication | Radhakrishnan, Rengaraj; Mustaphi, Nour El Hoda; Sebbar, Nada Kheira; Mague, Joel T.; Thiruvalluvar, Aravazhi Amalan |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 6 |
| Pages of publication | 545 - 548 |
| a | 6.8724 ± 0.0014 Å |
| b | 33.502 ± 0.007 Å |
| c | 7.3449 ± 0.0015 Å |
| α | 90° |
| β | 117.238 ± 0.003° |
| γ | 90° |
| Cell volume | 1503.6 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0659 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1265 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285051 (current) | 2023-07-06 | cif/ Updating files of 2022768 Original log message: Adding full bibliography for 2022768.cif. |
2022768.cif 2022768.hkl |
| 283814 | 2023-05-17 | cif/ hkl/ Adding structures of 2022768 via cif-deposit CGI script. |
2022768.cif 2022768.hkl |
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Users of the data should acknowledge the original authors of the
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