Information card for entry 2231999

Structure parameters

• Chemical name: (<i>E</i>)-2-{1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}- 2-cyano-<i>N</i>-(2-methylphenyl)acetamide
• Formula: C19 H18 Cl N5 O
• Calculated formula: C19 H18 Cl N5 O
• SMILES: c1(ccc(cn1)CN1/C(=C(\C#N)C(=O)Nc2ccccc2C)NCC1)Cl
• Title of publication: (<i>E</i>)-2-{1-[(6-Chloropyridin-3-yl)methyl]imidazolidin-2-ylidene}-2-cyano-<i>N</i>-(2-methylphenyl)acetamide
• Authors of publication: Wu, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2697
• a: 16.2019 ± 0.0018 Å
• b: 7.624 ± 0.0009 Å
• c: 14.7368 ± 0.0018 Å
• α: 90°
• β: 97.007 ± 0.003°
• γ: 90°
• Cell volume: 1806.7 ± 0.4 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: 0.0668
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes