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Information card for entry 2240340
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| Coordinates | 2240340.cif |
|---|---|
| Structure factors | 2240340.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(2,4-Dimethylphenyl)urea |
|---|---|
| Formula | C9 H12 N2 O |
| Calculated formula | C9 H12 N2 O |
| SMILES | O=C(Nc1c(cc(cc1)C)C)N |
| Title of publication | Crystal structure of 1-(2,4-dimethylphenyl)urea |
| Authors of publication | Jayalakshmi, L.; Ramalingan, C.; Sridhar, B.; Selvanayagam, S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o60 - o61 |
| a | 14.631 ± 0.004 Å |
| b | 7.0633 ± 0.0019 Å |
| c | 8.786 ± 0.002 Å |
| α | 90° |
| β | 93.53 ± 0.004° |
| γ | 90° |
| Cell volume | 906.3 ± 0.4 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1095 |
| Residual factor for significantly intense reflections | 0.0995 |
| Weighted residual factors for significantly intense reflections | 0.3206 |
| Weighted residual factors for all reflections included in the refinement | 0.3486 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.586 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240340.cif 2240340.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240340.cif 2240340.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240340.cif 2240340.hkl |
| 129067 | 2014-12-26 | cif/ hkl/ Adding structures of 2240340 via cif-deposit CGI script. |
2240340.cif 2240340.hkl |
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Users of the data should acknowledge the original authors of the
structural data.