Information card for entry 2209062

Structure parameters

• Chemical name: N-{[1-(5-benzylthio)-1,3,4-oxadiazol-2-yl]ethyl}chlorobenzenesulfonamide
• Formula: C17 H16 Cl N3 O3 S2
• Calculated formula: C17 H16 Cl N3 O3 S2
• SMILES: Clc1ccc(S(=O)(=O)NC(c2oc(SCc3ccccc3)nn2)C)cc1
• Title of publication: <i>N</i>-{[1-(5-Benzylsulfanyl)-1,3,4-oxadiazol-2-yl]ethyl}-4-chlorobenzenesulfonamide
• Authors of publication: Zareef, Muhammad; Iqbal, Rashid; Zaidi, Javid H.; Arfan, Muhammad; Parvez, Masood
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2449 - o2451
• a: 10.353 ± 0.003 Å
• b: 7.592 ± 0.003 Å
• c: 23.655 ± 0.01 Å
• α: 90°
• β: 100.329 ± 0.019°
• γ: 90°
• Cell volume: 1829.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.078
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes