Information card for entry 2212801

Structure parameters

• Common name: zolmitriptan.chloroform
• Chemical name: (S)-4-[3-{2-(dimethylamino)ethyl}-1H-indol-5-yl methyl]-2-oxazolidinone. chloroform solvate
• Formula: C17 H22 Cl3 N3 O2
• Calculated formula: C17 H22 Cl3 N3 O2
• Title of publication: Zolmitriptan chloroform solvate
• Authors of publication: B. Sridhar; K. Ravikumar; Harihara Krishnan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1961 - o1962
• a: 7.9987 ± 0.0006 Å
• b: 12.8279 ± 0.0009 Å
• c: 20.2396 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2076.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes