Information card for entry 2200328

Structure parameters

• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• SMILES: Oc1c(n2cncc2)cc(cc1)C
• Title of publication: 2-(Imidazol-1-yl)-4-methylphenol
• Authors of publication: Yoshinori Naruta; Yoshimitsu Tachi; Takefumi Chishiro; Yuichi Shimazaki; Fumito Tani
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o550 - o552
• a: 6.3521 ± 0.0007 Å
• b: 10.4406 ± 0.0006 Å
• c: 13.523 ± 0.001 Å
• α: 90°
• β: 97.199 ± 0.004°
• γ: 90°
• Cell volume: 889.77 ± 0.13 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.604
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No