Information card for entry 2204916

Structure parameters

• Chemical name: 2-methyl-1-(1,2,3,9-tetrahydro-9-methyl-4-oxo-4H-carbazol-3-ylmethyl)-1H- imidazol-3-ium chloride dihydrate
• Formula: C18 H24 Cl N3 O3
• Calculated formula: C18 H24 Cl N3 O3
• Title of publication: Disorder in ondansetron hydrochloride dihydrate
• Authors of publication: Bolte, Michael; Yathirajan, Hemmige S.; Nagaraj, B.; Nagaraja, P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: o47 - o48
• a: 15.0216 ± 0.0013 Å
• b: 9.6464 ± 0.0008 Å
• c: 12.6545 ± 0.001 Å
• α: 90°
• β: 100.708 ± 0.006°
• γ: 90°
• Cell volume: 1801.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0455
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes