Information card for entry 2013497

Structure parameters

• Common name: N-(o-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
• Chemical name: N-(2-chlorphenyl)-2,5-dimethylpyrrole-3-carbaldehyde
• Formula: C13 H12 Cl N O
• Calculated formula: C13 H12 Cl N O
• SMILES: Clc1c(n2c(c(cc2C)C=O)C)cccc1
• Title of publication: <i>N</i>-(<i>o</i>-Chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
• Authors of publication: Jukić, Marijana; Cetina, Mario; Vorkapić-Furač, Jasna; Golobič, Amalija; Nagl, Ante
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o357 - o359
• a: 21.6815 ± 0.0003 Å
• b: 8.6127 ± 0.0001 Å
• c: 19.7231 ± 0.0002 Å
• α: 90°
• β: 101.626 ± 0.0005°
• γ: 90°
• Cell volume: 3607.46 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1391
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes