Information card for entry 1551537

Structure parameters

• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: c1(c(cccc1)C1=[NH+]CC(N1)C)[O-]
• Title of publication: Crystal Structure of 2-(4-Methylimidazolin-2-yl)phenol: an Another Polymorph
• Authors of publication: MITSUHASHI, Ryoji; MIKURIYA, Masahiro
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2019
• Journal volume: 35
• Journal issue: 0
• Pages of publication: 9
• a: 12.595 ± 0.004 Å
• b: 6.2362 ± 0.0018 Å
• c: 11.529 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 905.5 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No