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Information card for entry 2243883
Preview
| Coordinates | 2243883.cif |
|---|---|
| Structure factors | 2243883.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>'-[2-(Benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide |
|---|---|
| Formula | C16 H13 N3 O2 S |
| Calculated formula | C16 H13 N3 O2 S |
| SMILES | s1c(nc2ccccc12)CC(=O)NNC(=O)c1ccccc1 |
| Title of publication | Crystal structure of <i>N</i>'-[2-(benzo[<i>d</i>]thiazol-2-yl)acetyl]benzohydrazide, an achiral compound crystallizing in space group <i>P</i>1 with <i>Z</i> = 1 |
| Authors of publication | Azzam, Rasha A.; Elgemeie, Galal H.; Seif, Mona M.; Jones, Peter G. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 9 |
| a | 4.71248 ± 0.00009 Å |
| b | 6.96463 ± 0.00014 Å |
| c | 11.5455 ± 0.0003 Å |
| α | 105.617 ± 0.0018° |
| β | 95.7876 ± 0.0016° |
| γ | 95.9993 ± 0.0016° |
| Cell volume | 359.638 ± 0.014 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0315 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0767 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267931 (current) | 2021-08-04 | cif/ hkl/ Adding structures of 2243883 via cif-deposit CGI script. |
2243883.cif 2243883.hkl |
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Users of the data should acknowledge the original authors of the
structural data.