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Information card for entry 2241404
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| Coordinates | 2241404.cif |
|---|---|
| Structure factors | 2241404.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>g</i>]chromene-3-carbonitrile |
|---|---|
| Formula | C21 H16 N2 O2 |
| Calculated formula | C21 H16 N2 O2 |
| SMILES | O1C(=C(C(c2ccc3ccccc3c12)c1ccc(OC)cc1)C#N)N |
| Title of publication | Crystal structure of 2-amino-4-(4-methoxyphenyl)-4<i>H</i>-benzo[<i>g</i>]chromene-3-carbonitrile |
| Authors of publication | Mague, Joel T.; Mohamed, Shaaban K.; Akkurt, Mehmet; Younes, Sabry H. H.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1017 - o1018 |
| a | 6.3833 ± 0.0002 Å |
| b | 10.6009 ± 0.0003 Å |
| c | 13.0915 ± 0.0004 Å |
| α | 108.823 ± 0.002° |
| β | 95.906 ± 0.002° |
| γ | 97.467 ± 0.002° |
| Cell volume | 821.44 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0862 |
| Residual factor for significantly intense reflections | 0.0566 |
| Weighted residual factors for significantly intense reflections | 0.1344 |
| Weighted residual factors for all reflections included in the refinement | 0.1506 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181915 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14. |
2241404.cif 2241404.hkl |
| 171488 | 2015-12-13 | cif/ hkl/ Adding structures of 2241404 via cif-deposit CGI script. |
2241404.cif 2241404.hkl |
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Users of the data should acknowledge the original authors of the
structural data.