Information card for entry 2212412

Structure parameters

• Chemical name: Ethyl 2-({5-[2-(benzoylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
• Formula: C19 H17 N3 O4 S
• Calculated formula: C19 H17 N3 O4 S
• SMILES: c1ccccc1C(=O)Nc1ccccc1c1nnc(o1)SCC(=O)OCC
• Title of publication: Ethyl 2-({5-[2-(benzoylamino)phenyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
• Authors of publication: Iqbal, Rashid; Aziz, Saeeda; Ahmed, Muhammad Naeem; Qadeer, Ghulam; Wong, Wai-Yeung
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1021 - o1022
• a: 16.81 ± 0.003 Å
• b: 5.0834 ± 0.0009 Å
• c: 21.274 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1817.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes