Information card for entry 2004455

Structure parameters

• Common name: Oxymetazoline hydrochloride monohydrate
• Chemical name: 3-[(4,5-dihydro-1H-imidazole-2-yl)methyl]-6-(1,1-dimethylethyl) -2,4-dimethylphenol Hydrochloride monohydrate.
• Formula: C16 H27 Cl N2 O2
• Calculated formula: C16 H27 Cl N2 O2
• Title of publication: An α-Adrenergic Agonist: Protonated Oxymetazoline Hydrochloride Monohydrate
• Authors of publication: Sengupta, R.; Dattagupta, J. K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 164 - 166
• a: 9.708 ± 0.002 Å
• b: 14.039 ± 0.001 Å
• c: 26.302 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3584.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0828
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections: 0.223
• Weighted residual factors for significantly intense reflections: 0.2193
• Goodness-of-fit parameter for all reflections: 1.105
• Goodness-of-fit parameter for significantly intense reflections: 1.131
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No