Information card for entry 2012089

Structure parameters

• Chemical name: 2-(N,N-Dimethylamino)-biphenyl-2'-carboxaldehyde
• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: O=Cc1c(cccc1)c1c(N(C)C)cccc1
• Title of publication: 1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives
• Authors of publication: O'Leary, Jane; Wallis, John D.; Wood, Michael L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 851 - 853
• a: 8.169 ± 0.002 Å
• b: 11.042 ± 0.003 Å
• c: 13.745 ± 0.004 Å
• α: 90°
• β: 101.89 ± 0.01°
• γ: 90°
• Cell volume: 1213.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.067
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No