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Information card for entry 1501723
Preview
| Coordinates | 1501723.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | meta-methyl-N-chloroacetanilide |
|---|---|
| Formula | C9 H10 Cl N O |
| Calculated formula | C9 H10 Cl N O |
| SMILES | CC(=O)N(c1cc(ccc1)C)Cl |
| Title of publication | Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals. |
| Authors of publication | Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2011 |
| Journal volume | 115 |
| Journal issue | 26 |
| Pages of publication | 7834 - 7848 |
| a | 7.705 ± 0.012 Å |
| b | 7.146 ± 0.011 Å |
| c | 17.57 ± 0.03 Å |
| α | 90° |
| β | 100.15 ± 0.02° |
| γ | 90° |
| Cell volume | 952 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1931 |
| Residual factor for significantly intense reflections | 0.1477 |
| Weighted residual factors for significantly intense reflections | 0.3846 |
| Weighted residual factors for all reflections included in the refinement | 0.4593 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.516 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1501723.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1501723.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501723.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501723.cif |
| 35072 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501723 via cif-deposit CGI script. |
1501723.cif |
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