Information card for entry 2241635

Structure parameters

• 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 ų
• 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