Information card for entry 4507942

Structure parameters

• Common name: Ac-Phe-NH2
• Chemical name: N-acetyl-L-phenylalanyl-NH2
• Formula: C11 H14 N2 O2
• Calculated formula: C11 H14 N2 O2
• SMILES: O=C(N)[C@@H](NC(=O)C)Cc1ccccc1
• Title of publication: Mechanochemical Conversions Between Crystalline Polymorphs of a Complex Organic Solid
• Authors of publication: Altheimer, Benjamin D.; Pagola, Silvina; Zeller, Matthias; Mehta, Manish A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 8
• Pages of publication: 3447
• a: 38.5979 ± 0.0004 Å
• b: 4.97425 ± 0.00005 Å
• c: 23.1869 ± 0.0003 Å
• α: 90°
• β: 99.7718 ± 0.0009°
• γ: 90°
• Cell volume: 4387.19 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Goodness-of-fit parameter for all reflections: 1.35
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.69968 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No