Information card for entry 2233838

Structure parameters

• Chemical name: 3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropan-1-ol
• Formula: C12 H14 N2 O
• Calculated formula: C12 H14 N2 O
• SMILES: OC(c1ccccc1)CCn1cncc1
• Title of publication: 3-(1<i>H</i>-Imidazol-1-yl)-1-phenylpropan-1-ol
• Authors of publication: Fun, Hoong-Kun; Quah, Ching Kheng; Attia, Mohamed I.; Abdel-Aziz, Hatem A.; Al-Rashood, Khalid A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o628
• a: 9.0352 ± 0.0005 Å
• b: 11.8521 ± 0.0007 Å
• c: 10.3462 ± 0.0006 Å
• α: 90°
• β: 109.688 ± 0.001°
• γ: 90°
• Cell volume: 1043.17 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0503
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1192
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes