Information card for entry 2210903

Structure parameters

• Chemical name: [1-(2-Hydroxyethyl)imidazolidin-2-ylidene]malononitrile
• Formula: C8 H10 N4 O
• Calculated formula: C8 H10 N4 O
• SMILES: OCCN1C(=C(C#N)/C#N)/NCC1
• Title of publication: [1-(2-Hydroxyethyl)imidazolidin-2-ylidene]malononitrile
• Authors of publication: Yu, Chu-Yi; Gao, Hong-Yun; Qiao, Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5114 - o5115
• a: 7.549 ± 0.002 Å
• b: 8.462 ± 0.003 Å
• c: 13.788 ± 0.004 Å
• α: 90°
• β: 93.301 ± 0.006°
• γ: 90°
• Cell volume: 879.3 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes