Information card for entry 2203128

Structure parameters

• Common name: olanzapine
• Chemical name: 2-methyl-4-(4-methyl-1-piperazinyl)-10H-thieno[2,3-b][1,5]benzodiazepine
• Formula: C17 H20 N4 S
• Calculated formula: C17 H20 N4 S
• SMILES: s1c2Nc3c(N=C(c2cc1C)N1CCN(CC1)C)cccc3
• Title of publication: Polymorphic form II of 2-methyl-4-(4-methyl-1-piperazinyl)-10<i>H</i>-thieno[2,3-<i>b</i>][1,5]benzodiazepine
• Authors of publication: Wawrzycka-Gorczyca, Irena; Koziol, Anna E.; Glice, Magdalena; Cybulski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 1
• Pages of publication: o66 - o68
• a: 10.388 ± 0.003 Å
• b: 14.839 ± 0.004 Å
• c: 10.567 ± 0.003 Å
• α: 90°
• β: 100.64 ± 0.03°
• γ: 90°
• Cell volume: 1600.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes