Information card for entry 2219189

Structure parameters

• Chemical name: 1-[2-(3,4-Dichlorophenyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3,4- oxadiazol-3-yl]ethanone
• Formula: C19 H18 Cl2 N2 O5
• Calculated formula: C19 H18 Cl2 N2 O5
• SMILES: Clc1cc(C2N(C(=O)C)N=C(c3cc(c(c(c3)OC)OC)OC)O2)ccc1Cl
• Title of publication: 1-[2-(3,4-Dichlorophenyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,3,4-oxadiazol-3-yl]ethanone
• Authors of publication: He, Dao-Hang; Zhu, Yong-Chuang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1443
• a: 7.6743 ± 0.0004 Å
• b: 15.9516 ± 0.0008 Å
• c: 15.7483 ± 0.0008 Å
• α: 90°
• β: 90.894 ± 0.001°
• γ: 90°
• Cell volume: 1927.63 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0555
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes