Information card for entry 2008251

Structure parameters

• Chemical name: 1-hydroxyethyl-2,2'-biimidazole
• Formula: C8 H10 N4 O
• Calculated formula: C8 H10 N4 O
• SMILES: OCCn1c(ncc1)c1[nH]ccn1
• Title of publication: 1-Hydroxyethyl-2,2'-biimidazole
• Authors of publication: Lin, Geng; Collier, Harvest; Baughman, Russell G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 3
• Pages of publication: 476 - 478
• a: 11.401 ± 0.001 Å
• b: 14.698 ± 0.002 Å
• c: 5.0903 ± 0.0006 Å
• α: 90°
• β: 94.53 ± 0.009°
• γ: 90°
• Cell volume: 850.33 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 288 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes