Information card for entry 7210547

Structure parameters

• Common name: Olanzapine-Maleic acid 1:1
• Formula: C21 H24 N4 O4 S
• Calculated formula: C21 H24 N4 O4 S
• SMILES: c12c(cccc1)Nc1c(C(=N2)N2CC[NH+](CC2)C)cc(C)s1.C(=O)(/C=C\C(=O)[O-])O
• Title of publication: Highly soluble olanzapinium maleate crystalline salts
• Authors of publication: Thakuria, Ranjit; Nangia, Ashwini
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1759
• a: 10.852 ± 0.005 Å
• b: 13.748 ± 0.007 Å
• c: 13.879 ± 0.007 Å
• α: 90°
• β: 97.856 ± 0.008°
• γ: 90°
• Cell volume: 2051.2 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No