Information card for entry 2207394

Structure parameters

• Chemical name: Methyl 2-(2-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2- (dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate
• Formula: C24 H25 Cl N4 O4
• Calculated formula: C24 H25 Cl N4 O4
• SMILES: CN(C)\C=C(C(=O)OC)/c1ccccc1OC(=C/N(C)C)\c1nc(c2c(cccc2)Cl)no1
• Title of publication: Methyl 2-(2-{1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-(dimethylamino)vinyloxy}phenyl)-3-(dimethylamino)acrylate
• Authors of publication: Wang, Hai-Bo; Pu, Yue-Qing; Chen, Jia-Hui; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3879 - o3880
• a: 16.088 ± 0.003 Å
• b: 8.306 ± 0.0017 Å
• c: 17.358 ± 0.004 Å
• α: 90°
• β: 95.79 ± 0.03°
• γ: 90°
• Cell volume: 2307.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1373
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1598
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes