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Information card for entry 2241635
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| Coordinates | 2241635.cif |
|---|---|
| Structure factors | 2241635.hkl |
| Original IUCr paper | HTML |
| Common name | Levomepromazine-maleate |
|---|---|
| Chemical name | (-)-(<i>S</i>)-3-(2-Methoxyphenothiazin-10-yl)-<i>N</i>,<i>N</i>,2-trimethylpropanaminium hydrogen maleate |
| Formula | C23 H28 N2 O5 S |
| Calculated formula | C23 H28 N2 O5 S |
| SMILES | S1c2c(N(C[C@@H](C[NH+](C)C)C)c3ccccc13)cc(OC)cc2.[O-]C(=O)/C=C\C(=O)O |
| Title of publication | Crystal structure of levomepromazine maleate |
| Authors of publication | Gál, Gyula Tamás; May, Nóra Veronika; Bombicz, Petra |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 5 |
| Pages of publication | 612 - 615 |
| a | 11.6395 ± 0.0005 Å |
| b | 19.0487 ± 0.0006 Å |
| c | 20.4977 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4544.7 ± 0.3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.1244 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241635.cif 2241635.hkl |
| 181822 | 2016-04-06 | cif/ hkl/ Adding structures of 2241635 via cif-deposit CGI script. |
2241635.cif 2241635.hkl |
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Users of the data should acknowledge the original authors of the
structural data.