Information card for entry 2235169

Structure parameters

• Chemical name: 2-({4-[4-(1<i>H</i>-Benzimidazol-2-yl)phenyl]-1<i>H</i>- 1,2,3-triazol-1-yl}methoxy)ethanol
• Formula: C18 H17 N5 O2
• Calculated formula: C18 H17 N5 O2
• SMILES: O(Cn1nnc(c2ccc(c3[nH]c4ccccc4n3)cc2)c1)CCO
• Title of publication: 2-({4-[4-(1<i>H</i>-Benzimidazol-2-yl)phenyl]-1<i>H</i>-1,2,3-triazol-1-yl}methoxy)ethanol
• Authors of publication: Ouahrouch, Abdelaaziz; Taourirte, Moha; Lazrek, Hassan B.; Bats, Jan W.; Engels, Joachim W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1908
• a: 10.4449 ± 0.0005 Å
• b: 7.7754 ± 0.0004 Å
• c: 20.2119 ± 0.001 Å
• α: 90°
• β: 99.354 ± 0.001°
• γ: 90°
• Cell volume: 1619.65 ± 0.14 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.0876
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes