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Information card for entry 2240942
Preview
| Coordinates | 2240942.cif |
|---|---|
| Structure factors | 2240942.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Chloro-5-(2-chloroethyl)-3-(propan-2-ylidene)indolin-2-one |
|---|---|
| Formula | C13 H13 Cl2 N O |
| Calculated formula | C13 H13 Cl2 N O |
| Title of publication | Crystal structure of 6-chloro-5-(2-chloroethyl)-3-(propan-2-ylidene)indolin-2-one |
| Authors of publication | Roopashree, K. R.; Meti, Gangadhar Y.; Kamble, Ravindra R.; Devarajegowda, H. C. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o592 - o593 |
| a | 8.1079 ± 0.001 Å |
| b | 8.8699 ± 0.001 Å |
| c | 9.1714 ± 0.0012 Å |
| α | 101.136 ± 0.006° |
| β | 97.799 ± 0.007° |
| γ | 98.783 ± 0.006° |
| Cell volume | 630.22 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0883 |
| Residual factor for significantly intense reflections | 0.0453 |
| Weighted residual factors for significantly intense reflections | 0.1332 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240942.cif 2240942.hkl |
| 152444 | 2015-07-23 | cif/ hkl/ Adding structures of 2240942 via cif-deposit CGI script. |
2240942.cif 2240942.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.