Information card for entry 2007158

Structure parameters

• Common name: MEPHENTERMINE HEMISULFATE
• Formula: C11 H20 N O3 S0.5
• Calculated formula: C11 H20 N O3 S0.5
• SMILES: S(=O)(=O)([O-])[O-].c1(ccccc1)CC([NH2+]C)(C)C.c1(ccccc1)CC([NH2+]C)(C)C.O.O
• Title of publication: Mephentermine Hemisulfate Monohydrate: an Adrenergic Agent
• Authors of publication: Sengupta, Rakhi; Banerjee, Rahul; Dattagupta, J.K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 497 - 499
• a: 30.15 ± 0.01 Å
• b: 6.644 ± 0.002 Å
• c: 12.685 ± 0.007 Å
• α: 90°
• β: 102.6 ± 0.04°
• γ: 90°
• Cell volume: 2479.8 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.162
• Weighted residual factors for significantly intense reflections: 0.16
• Goodness-of-fit parameter for all reflections: 1.197
• Goodness-of-fit parameter for significantly intense reflections: 1.224
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No