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Information card for entry 2019851
Preview
| Coordinates | 2019851.cif |
|---|---|
| Structure factors | 2019851.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Methylamino-3-nitro-4-<i>p</i>-tolylpyrano[3,2-<i>c</i>]chromen-5(4<i>H</i>)-one |
|---|---|
| Formula | C20 H16 N2 O5 |
| Calculated formula | C20 H16 N2 O5 |
| SMILES | c12ccccc1c1c(C(C(=C(NC)O1)N(=O)=O)c1ccc(C)cc1)c(=O)o2 |
| Title of publication | Crystal structure of 2-methylamino-3-nitro-4-p-tolylpyrano[3,2-c]chromen-5(4H)-one |
| Authors of publication | Govindaraj, J.; AaminaNaaz, Y.; Kamalraja, Jayabal; Perumal, Paramasivam T.; SubbiahPandi, A. |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | o158 |
| a | 10.8336 ± 0.0011 Å |
| b | 11.7927 ± 0.0011 Å |
| c | 13.7275 ± 0.0014 Å |
| α | 90° |
| β | 108.357 ± 0.002° |
| γ | 90° |
| Cell volume | 1664.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0931 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1188 |
| Weighted residual factors for all reflections included in the refinement | 0.1508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019851.cif 2019851.hkl |
| 180866 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/98. |
2019851.cif 2019851.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019851.cif 2019851.hkl |
| 131559 | 2015-02-08 | cif/ hkl/ Adding structures of 2019851 via cif-deposit CGI script. |
2019851.cif 2019851.hkl |
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Users of the data should acknowledge the original authors of the
structural data.