Information card for entry 2211017

Structure parameters

• Common name: Ethyl (E)-[1-(2-hydroxyethyl)-2-imidazolidinylidene]cyanoacetate
• Chemical name: Ethyl 2-cyano-2-[(E)-1-(2-hydroxyethyl)imidazolidin-2-ylidene]acetate
• Formula: C10 H15 N3 O3
• Calculated formula: C10 H15 N3 O3
• SMILES: OCCN1\C(=C(/C#N)C(=O)OCC)NCC1
• Title of publication: Ethyl 2-cyano-2-[(<i>E</i>)-1-(2-hydroxyethyl)imidazolidin-2-ylidene]acetate
• Authors of publication: Liao, Jiang-Peng; Zhang, Ti; Yu, Chu-Yi; Huang, Zhi-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5161 - o5162
• a: 5.2273 ± 0.001 Å
• b: 14.201 ± 0.003 Å
• c: 15.165 ± 0.003 Å
• α: 90°
• β: 91.8 ± 0.03°
• γ: 90°
• Cell volume: 1125.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes