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Information card for entry 2243371
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| Coordinates | 2243371.cif |
|---|---|
| Structure factors | 2243371.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-{[(Anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate# |
|---|---|
| Formula | C25 H24 N2 O3 |
| Calculated formula | C25 H24 N2 O3 |
| SMILES | OC(=O)c1ccc(NCc2c3ccccc3cc3ccccc23)cc1.O=CN(C)C |
| Title of publication | Crystal structure and Hirshfeld surface analysis of 4-{[(anthracen-9-yl)methyl]amino}benzoic acid dimethylformamide monosolvate |
| Authors of publication | Ahmed, Adeeba; Ahmad, Aiman; Ahmad, Musheer; Kalibabchuk, Valentina A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| Pages of publication | 728 - 731 |
| a | 10.6878 ± 0.0009 Å |
| b | 8.9088 ± 0.0007 Å |
| c | 21.9503 ± 0.0019 Å |
| α | 90° |
| β | 99.049 ± 0.003° |
| γ | 90° |
| Cell volume | 2064 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0936 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1422 |
| Weighted residual factors for all reflections included in the refinement | 0.1835 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1201 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251176 (current) | 2020-04-25 | cif/ hkl/ Adding structures of 2243371 via cif-deposit CGI script. |
2243371.cif 2243371.hkl |
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Users of the data should acknowledge the original authors of the
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