Information card for entry 2233334

Structure parameters

• Chemical name: 3-{2-[(3-{(<i>E</i>)-2-[4-(Dimethylamino)phenyl]ethenyl}quinoxalin-2- yl)oxy]ethyl}-1,3-oxazolidin-2-one monohydrate
• Formula: C23 H26 N4 O4
• Calculated formula: C23 H26 N4 O4
• SMILES: O(c1nc2c(nc1/C=C/c1ccc(N(C)C)cc1)cccc2)CCN1CCOC1=O.O
• Title of publication: 3-{2-[(3-{(<i>E</i>)-2-[4-(Dimethylamino)phenyl]ethenyl}quinoxalin-2-yl)oxy]ethyl}-1,3-oxazolidin-2-one monohydrate
• Authors of publication: Ramli, Youssef; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o241
• a: 7.2098 ± 0.00001 Å
• b: 23.3271 ± 0.0004 Å
• c: 12.3994 ± 0.0002 Å
• α: 90°
• β: 98.119 ± 0.001°
• γ: 90°
• Cell volume: 2064.48 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1196
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes