Information card for entry 2232075

Structure parameters

• Chemical name: 2-(Biphenyl-4-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridine- 5-ylsulfonyl)thiophen-2-yl]-1,3,4-oxadiazole
• Formula: C25 H19 N3 O3 S3
• Calculated formula: C25 H19 N3 O3 S3
• SMILES: S(=O)(=O)(N1Cc2ccsc2CC1)c1c(scc1)c1oc(nn1)c1ccc(c2ccccc2)cc1
• Title of publication: 2-(Biphenyl-4-yl)-5-[3-(4,5,6,7-tetrahydrothieno[3,2-<i>c</i>]pyridine-5-ylsulfonyl)thiophen-2-yl]-1,3,4-oxadiazole
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Rai, Sankappa; Isloor, A. M.; Shetty, Prakash
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: o2781 - o2782
• a: 7.9108 ± 0.0001 Å
• b: 12.0943 ± 0.0001 Å
• c: 12.9498 ± 0.0002 Å
• α: 69.253 ± 0.001°
• β: 76.794 ± 0.001°
• γ: 77.46 ± 0.001°
• Cell volume: 1115.3 ± 0.03 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes