Information card for entry 2200012

Structure parameters

• Common name: L-Tyrosinamide hydrochloride monohydrate
• Chemical name: 1-carbamoyl-2-(4-hydroxyphenyl)ethylammonium chloride monohydrate
• Formula: C9 H15 Cl N2 O3
• Calculated formula: C9 H15 Cl N2 O3
• SMILES: [Cl-].C(=O)(N)[C@@H]([NH3+])Cc1ccc(O)cc1.O
• Title of publication: <small>L</small>-Tyrosinamide hydrochloride monohydrate
• Authors of publication: Kolev, Tsonko; Spiteller, Michael; Sheldrick, William S.; Mayer-Figge, Heike; van Almsick, Tobias
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3819 - o3821
• a: 7.3671 ± 0.0017 Å
• b: 6.02 ± 0.002 Å
• c: 13.689 ± 0.003 Å
• α: 90°
• β: 105.551 ± 0.012°
• γ: 90°
• Cell volume: 584.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes