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Information card for entry 2239010
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| Coordinates | 2239010.cif |
|---|---|
| Structure factors | 2239010.hkl |
| Original IUCr paper | HTML |
| Chemical name | Methyl 4-(4-bromoanilino)-2',5-dioxo-5<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate |
|---|---|
| Formula | C19 H13 Br N2 O5 |
| Calculated formula | C19 H13 Br N2 O5 |
| SMILES | c1cccc2c1NC(=O)C12C(=C(C(=O)O1)Nc1ccc(cc1)Br)C(=O)OC |
| Title of publication | Methyl 4-(4-bromoanilino)-2',5-dioxo-5<i>H</i>-spiro[furan-2,3'-indoline]-3-carboxylate |
| Authors of publication | Gangadharan, Rajeswari; Kiruthika, Selvarangam E.; Sethusankar, K.; Perumal, P. T. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o210 - o211 |
| a | 7.845 ± 0.005 Å |
| b | 8.365 ± 0.005 Å |
| c | 13.703 ± 0.005 Å |
| α | 81.565 ± 0.005° |
| β | 81.944 ± 0.005° |
| γ | 76.183 ± 0.005° |
| Cell volume | 858.6 ± 0.8 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 | 0.0628 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0952 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239010.cif 2239010.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239010.cif 2239010.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239010.cif 2239010.hkl |
| 104842 | 2014-03-11 | cif/ hkl/ Adding structures of 2239010 via cif-deposit CGI script. |
2239010.cif 2239010.hkl |
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