Information card for entry 2203129

Structure parameters

• Common name: olanzapine methanol solvate
• Chemical name: 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine methanol solvate
• Formula: C18 H24 N4 O S
• Calculated formula: C18 H24 N4 O S
• SMILES: s1c2Nc3c(N=C(c2cc1C)N1CCN(CC1)C)cccc3.OC
• Title of publication: 2-Methyl-4-(4-methyl-1-piperazinyl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine methanol solvate
• Authors of publication: Wawrzycka-Gorczyca, Irena; Mazur, Liliana; Koziol, Anna E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o69 - o71
• a: 10.207 ± 0.003 Å
• b: 12.44 ± 0.004 Å
• c: 14.278 ± 0.005 Å
• α: 90°
• β: 92.6 ± 0.03°
• γ: 90°
• Cell volume: 1811.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2904
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.2759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes