Information card for entry 2007514

Structure parameters

• Common name: racemic atrolactamidinium chloride
• Chemical name: Racemic 2-Hydroxy-2-phenyl-propanamidinium chloride
• Formula: C9 H13 Cl N2 O
• Calculated formula: C9 H13 Cl N2 O
• SMILES: [Cl-].NC(=[NH2+])C(O)(C)c1ccccc1
• Title of publication: Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate
• Authors of publication: Barnes, John C.; Weakley, Timothy J.R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1170 - 1173
• a: 8.8847 ± 0.0006 Å
• b: 10.483 ± 0.001 Å
• c: 11.6776 ± 0.0013 Å
• α: 90°
• β: 108.375 ± 0.008°
• γ: 90°
• Cell volume: 1032.18 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes