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Information card for entry 2022299
Preview
| Coordinates | 2022299.cif |
|---|---|
| Structure factors | 2022299.hkl |
| Original IUCr paper | HTML |
| Chemical name | Azanium 4-{[(2-hydroxyphenyl)methylidene]amino}benzoate |
|---|---|
| Formula | C14 H14 N2 O3 |
| Calculated formula | C14 H14 N2 O3 |
| SMILES | Oc1ccccc1/C=N/c1ccc(cc1)C(=O)[O-].[NH4+] |
| Title of publication | Two-step crystal‒crystal phase transformation of <i>N</i>-salicylidene-<i>p</i>-aminobenzoic acid by gas‒solid reaction with aqua‒ammonia vapour |
| Authors of publication | Sugiyama, Haruki; Uekusa, Hidehiro |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 1 |
| Pages of publication | 56 - 60 |
| a | 43.803 ± 0.004 Å |
| b | 4.6835 ± 0.0005 Å |
| c | 12.2643 ± 0.001 Å |
| α | 90° |
| β | 96.105 ± 0.002° |
| γ | 90° |
| Cell volume | 2501.8 ± 0.4 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0745 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1398 |
| Weighted residual factors for all reflections included in the refinement | 0.1547 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260145 (current) | 2020-12-24 | cif/ hkl/ Adding structures of 2022299 via cif-deposit CGI script. |
2022299.cif 2022299.hkl |
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Users of the data should acknowledge the original authors of the
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