Information card for entry 2003967

Structure parameters

• Common name: O-Methyl-THPO hydrochloride
• Chemical name: O-Methyl-4,5,6,7-tetrahydroisoxazolo[4,5c]pyridin-3-ol hydrochloride
• Formula: C7 H11 Cl N2 O2
• Calculated formula: C7 H11 Cl N2 O2
• SMILES: [Cl-].o1nc(c2c1CC[NH2+]C2)OC
• Title of publication: <i>O</i>-Methyl-4,5,6,7-tetrahydroisoxazolo[4,5-<i>c</i>]pyridin-3-ol Hydrochloride, <i>O</i>-Me-THPO.HCl
• Authors of publication: Frydenvang, K.; Hansen, L. M.; Jensen, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2053 - 2057
• a: 19.746 ± 0.005 Å
• b: 12.403 ± 0.003 Å
• c: 7.254 ± 0.002 Å
• α: 90°
• β: 100.57 ± 0.02°
• γ: 90°
• Cell volume: 1746.4 ± 0.8 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1088
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1559
• Weighted residual factors for significantly intense reflections: 0.1239
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No