Information card for entry 1551598

Structure parameters

• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: [O-]c1ccccc1C1=[N+][C@@H](CN1)C
• Title of publication: Synthesis and Crystal Structure of (<i>R</i>)-2-(4-Methylimidazolin-2-yl)phenol
• Authors of publication: MITSUHASHI, Ryoji; UEDA, Takaaki; HOSOYA, Satoshi; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2016
• Journal volume: 32
• Journal issue: 0
• Pages of publication: 59
• a: 6.345 ± 0.002 Å
• b: 9.631 ± 0.004 Å
• c: 7.805 ± 0.003 Å
• α: 90°
• β: 112.462 ± 0.005°
• γ: 90°
• Cell volume: 440.8 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No