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Information card for entry 2240312
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| Coordinates | 2240312.cif |
|---|---|
| Structure factors | 2240312.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-(Morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one |
|---|---|
| Formula | C18 H20 N2 O2 |
| Calculated formula | C18 H20 N2 O2 |
| SMILES | c1ccccc1C(=O)CC(c1ccccn1)N1CCOCC1 |
| Title of publication | Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one |
| Authors of publication | Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 1 |
| Pages of publication | o24 - o25 |
| a | 12.4554 ± 0.0006 Å |
| b | 8.2204 ± 0.0004 Å |
| c | 30.6681 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3140.1 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0718 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| 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 |
|---|---|---|---|
| 181903 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/03 |
2240312.cif 2240312.hkl |
| 181323 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/03. |
2240312.cif 2240312.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2240312.cif 2240312.hkl |
| 128743 | 2014-12-14 | cif/ hkl/ Adding structures of 2240312 via cif-deposit CGI script. |
2240312.cif 2240312.hkl |
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Users of the data should acknowledge the original authors of the
structural data.