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Information card for entry 1545043
Preview
| Coordinates | 1545043.cif |
|---|---|
| Structure factors | 1545043.hkl |
| Original IUCr paper | HTML |
| Common name | 4-[Bis(2-chloroethyl)amino]benzaldehyde |
|---|---|
| Formula | C11 H13 Cl2 N O |
| Calculated formula | C11 H13 Cl2 N O |
| SMILES | c1cc(ccc1N(CCCl)CCCl)C=O |
| Title of publication | 4-[Bis(2-chloroethyl)amino]benzaldehyde |
| Authors of publication | Seethalakshmi, P.; Palanivel, C. |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 1 |
| Pages of publication | x162043 |
| a | 14.7725 ± 0.0005 Å |
| b | 9.3588 ± 0.0003 Å |
| c | 9.8079 ± 0.0003 Å |
| α | 90° |
| β | 116.308 ± 0.0014° |
| γ | 90° |
| Cell volume | 1215.53 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 190499 (current) | 2017-01-14 | cif/ hkl/ Adding structures of 1545043 via cif-deposit CGI script. |
1545043.cif 1545043.hkl |
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Users of the data should acknowledge the original authors of the
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