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Information card for entry 2239504
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| Coordinates | 2239504.cif |
|---|---|
| Structure factors | 2239504.hkl |
| Original IUCr paper | HTML |
| Formula | C23 H23 N5 O5 S |
|---|---|
| Calculated formula | C23 H23 N5 O5 S |
| SMILES | C1(=C2N(C(=C(C31C(=O)Nc1c3cccc1)C(=O)c1ccccc1)N)CCN2)N(=O)=O.CS(C)=O |
| Title of publication | 5-Amino-6-benzoyl-8-nitro-2,3-dihydro-1<i>H</i>-spiro[imidazo[1,2-<i>a</i>]pyridine-7,3'-indolin]-2'-one dimethyl sulfoxide monosolvate |
| Authors of publication | Nagalakshmi, R. A.; Suresh, J.; Sivakumar, S.; Kumar, R. Ranjith; Lakshman, P. L. Nilantha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | o604 - o605 |
| a | 16.476 ± 0.003 Å |
| b | 13.527 ± 0.002 Å |
| c | 10.0727 ± 0.0018 Å |
| α | 90° |
| β | 99.868 ± 0.005° |
| γ | 90° |
| Cell volume | 2211.7 ± 0.7 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 | 0.0912 |
| Residual factor for significantly intense reflections | 0.0558 |
| Weighted residual factors for significantly intense reflections | 0.1366 |
| Weighted residual factors for all reflections included in the refinement | 0.1602 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239504.cif 2239504.hkl |
| 181314 | 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 2/23/95. |
2239504.cif 2239504.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. |
2239504.cif 2239504.hkl |
| 111761 | 2014-04-27 | cif/ hkl/ Adding structures of 2239504 via cif-deposit CGI script. |
2239504.cif 2239504.hkl |
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Users of the data should acknowledge the original authors of the
structural data.