Information card for entry 2209505

Structure parameters

• Common name: 2-(4-chlorobenzoylmethylene)-imidazolidine
• Chemical name: 1-(4-Chlorophenyl)-2-(imidazolidin-2-ylidene)ethanone
• Formula: C11 H11 Cl N2 O
• Calculated formula: C11 H11 Cl N2 O
• SMILES: Clc1ccc(C(=O)C=C2NCCN2)cc1
• Title of publication: 1-(4-Chlorophenyl)-2-(imidazolidin-2-ylidene)ethanone
• Authors of publication: Chu-Yi Yu; Sheng-Jiao Yan; Zhi-Tang Huang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2655 - o2656
• a: 6.5657 ± 0.0017 Å
• b: 6.976 ± 0.002 Å
• c: 11.602 ± 0.003 Å
• α: 90°
• β: 94.981 ± 0.004°
• γ: 90°
• Cell volume: 529.4 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes