Information card for entry 2229110

Structure parameters

• Chemical name: Benzyl <i>N</i>-{2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate
• Formula: C19 H18 Cl N3 O3
• Calculated formula: C19 H18 Cl N3 O3
• SMILES: Clc1ccc(cc1)c1onc(n1)C(NC(=O)OCc1ccccc1)(C)C
• Title of publication: Benzyl <i>N</i>-{2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl}carbamate
• Authors of publication: Fun, Hoong-Kun; Sumangala, V.; Nagaraja, G. K.; Poojary, Boja; Chantrapromma, Suchada
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o420 - o421
• a: 7.7501 ± 0.0001 Å
• b: 11.0052 ± 0.0002 Å
• c: 20.9834 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1789.7 ± 0.05 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes