Information card for entry 2004059

Structure parameters

• Formula: C15 H22 N2 O2
• Calculated formula: C15 H22 N2 O2
• SMILES: C1COCCO1.CCCCCn1c(CO)nc2c1cccc2
• Title of publication: 2-Hydroxymethyl-1-pentylbenzimidazole Hemi(1,4-dioxane) Solvate
• Authors of publication: Aubry, A.; Brembilla, A.; Faivre, V.; Lochon, P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2147 - 2148
• a: 12.801 ± 0.001 Å
• b: 7.819 ± 0.001 Å
• c: 15.169 ± 0.002 Å
• α: 90°
• β: 101.08 ± 0.01°
• γ: 90°
• Cell volume: 1490 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 4.34
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No