Information card for entry 2226499

Structure parameters

• Chemical name: 1,3,3-Trimethyl-1,2,3,4-tetrahydropyrido[1,2-<i>a</i>]benzimidazol-1-ol
• Formula: C14 H18 N2 O
• Calculated formula: C14 H18 N2 O
• SMILES: OC1(n2c3c(nc2CC(C1)(C)C)cccc3)C
• Title of publication: 1,3,3-Trimethyl-1,2,3,4-tetrahydropyrido[1,2-<i>a</i>]benzimidazol-1-ol
• Authors of publication: Mehdi, Sayed Hasan; Hashim, Rokiah; Ghalib, Raza Murad; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1832
• a: 9.615 ± 0.005 Å
• b: 8.194 ± 0.004 Å
• c: 15.965 ± 0.008 Å
• α: 90°
• β: 99.601 ± 0.012°
• γ: 90°
• Cell volume: 1240.2 ± 1.1 ų
• Cell temperature: 100 ± 0.1 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: 0.0688
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes