Information card for entry 2014312

Structure parameters

• Common name: L-Tyrosine methyl ester hydrochloride
• Chemical name: methyl 2-ammonio-3-(4-hydroxyphenyl)propionate chloride
• Formula: C10 H14 Cl N O3
• Calculated formula: C10 H14 Cl N O3
• SMILES: [Cl-].Oc1ccc(C[C@H]([NH3+])C(=O)OC)cc1
• Title of publication: Comparison of the methyl ester of <small>L</small>-tyrosine hydrochloride and its methanol monosolvate
• Authors of publication: Bryndal, Iwona; Jaremko, Mariusz; Jaremko, Łukasz; Lis, Tadeusz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o111 - o114
• a: 9.943 ± 0.003 Å
• b: 5.351 ± 0.002 Å
• c: 11.154 ± 0.003 Å
• α: 90°
• β: 105.38 ± 0.03°
• γ: 90°
• Cell volume: 572.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0545
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes