Information card for entry 2012090

Structure parameters

• Chemical name: 2-(N,N-Dimethylamino)-biphenyl-2',6'-dicarboxaldehyde
• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: O=Cc1c(c2c(N(C)C)cccc2)c(ccc1)C=O
• 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: 14.161 ± 0.003 Å
• b: 27.913 ± 0.006 Å
• c: 6.7018 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2649.1 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No