Information card for entry 2229039

Structure parameters

• Chemical name: 1,3-Bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol- 2(3<i>H</i>)-one
• Formula: C17 H20 N4 O5
• Calculated formula: C17 H20 N4 O5
• SMILES: O=C1N(c2c(N1CCN1C(=O)OCC1)cccc2)CCN1C(=O)OCC1
• Title of publication: 1,3-Bis[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Ouzidan, Younes; Kandri Rodi, Youssef; Fronczek, Frank R.; Venkatraman, Ramaiyer; El Ammari, Lahcen; Essassi, El Mokhtar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o362 - o363
• a: 10.5331 ± 0.001 Å
• b: 10.9647 ± 0.001 Å
• c: 14.5541 ± 0.0014 Å
• α: 90°
• β: 103.258 ± 0.005°
• γ: 90°
• Cell volume: 1636.1 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0305
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes