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Information card for entry 2009032
Preview
| Coordinates | 2009032.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5-amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile |
|---|---|
| Formula | C26 H23 N5 O |
| Calculated formula | C26 H23 N5 O |
| SMILES | n1c(cc(c2c(nc(c(c12)C#N)N1CCCC1)N)c1ccc(cc1)OC)c1ccccc1 |
| Title of publication | 5-Amino-4-(4-methoxyphenyl)-2-phenyl-7-(pyrrolidin-1-yl)-1,6-naphthyridine-8-carbonitrile |
| Authors of publication | R.Sankaranarayanan; S.Shanmuga Sundara Raj; D.Velmurugan; Hoong-Kun Fun; V.Raghukumar; V.T.Ramakrishnan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 10 |
| Pages of publication | 1670 - 1672 |
| a | 9.6808 ± 0.0001 Å |
| b | 11.4468 ± 0.0002 Å |
| c | 19.8557 ± 0.0001 Å |
| α | 100.047 ± 0.001° |
| β | 95.804 ± 0.001° |
| γ | 90.318 ± 0.001° |
| Cell volume | 2154.84 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1071 |
| Residual factor for significantly intense reflections | 0.0622 |
| Weighted residual factors for all reflections included in the refinement | 0.1603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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