Information card for entry 2014988

Structure parameters

• Chemical name: 4-ethyl-3,5-dimethylpyrrole-2-carbaldehyde
• Formula: C10 H15 N O
• Calculated formula: C10 H15 N O
• SMILES: [nH]1c(C(=O)C)c(C)c(CC)c1C
• Title of publication: Hydrogen-bonding patterns in six derivatives of 2,4-dimethylpyrrole
• Authors of publication: Senge, Mathias O.; Smith, Kevin M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o537 - o541
• a: 28.513 ± 0.012 Å
• b: 9.007 ± 0.005 Å
• c: 7.471 ± 0.003 Å
• α: 90°
• β: 99.83 ± 0.03°
• γ: 90°
• Cell volume: 1890.5 ± 1.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes