Information card for entry 2017998

Structure parameters

• Chemical name: 2-propylammonium benzoate
• Formula: C10 H15 N O2
• Calculated formula: C10 H15 N O2
• Title of publication: Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules
• Authors of publication: Lemmerer, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o92 - o99
• a: 6.3823 ± 0.0007 Å
• b: 9.0629 ± 0.0005 Å
• c: 19.5457 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1130.57 ± 0.16 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes