Information card for entry 1515410

Structure parameters

• Formula: C12 H10 N2 O S
• Calculated formula: C12 H10 N2 O S
• SMILES: s1c(N2C(=O)Nc3c2cccc3)ccc1C
• Title of publication: Development of a simple and stability-indicating RP-HPLC method for determining olanzapine and related impurities generated in the preparative process.
• Authors of publication: Cui, Daoping; Li, Yueqing; Lian, Mingming; Yang, Feng; Meng, Qingwei
• Journal of publication: The Analyst
• Year of publication: 2011
• Journal volume: 136
• Journal issue: 15
• Pages of publication: 3149 - 3156
• a: 20.459 ± 0.011 Å
• b: 9.635 ± 0.005 Å
• c: 23.657 ± 0.012 Å
• α: 90°
• β: 111.067 ± 0.006°
• γ: 90°
• Cell volume: 4352 ± 4 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: 0.1111
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No