Information card for entry 2005051

Structure parameters

• Chemical name: 1-phenyl-4-imidazolidinone (Z)-oxime
• Formula: C9 H11 N3 O
• Calculated formula: C9 H11 N3 O
• SMILES: O/N=C1\NCN(C1)c1ccccc1
• Title of publication: 1-Phenyl-4-imidazolidinone (<i>Z</i>)-Oxime
• Authors of publication: Suwinski, J.; Wagner, P.; Holt, E. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1462 - 1464
• a: 15.312 ± 0.003 Å
• b: 5.024 ± 0.001 Å
• c: 12.514 ± 0.003 Å
• α: 90°
• β: 112.23 ± 0.03°
• γ: 90°
• Cell volume: 891.1 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0475
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No