Information card for entry 2237662

Structure parameters

• Chemical name: 2-Amino-6-methyl-5-{5-[(naphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-ylsulfanyl}-4-(3-nitrophenyl)pyridine-3-carbonitrile
• Formula: C26 H18 N6 O4 S
• Calculated formula: C26 H18 N6 O4 S
• SMILES: S(c1oc(nn1)COc1cc2ccccc2cc1)c1c(nc(N)c(c1c1cccc(N(=O)=O)c1)C#N)C
• Title of publication: 2-Amino-6-methyl-5-{5-[(naphthalen-2-yloxy)methyl]-1,3,4-oxadiazol-2-ylsulfanyl}-4-(3-nitrophenyl)pyridine-3-carbonitrile
• Authors of publication: Fun, Hoong-Kun; Chidan Kumar, C. S.; Patrao, Prescilla; Khader, A. M. A.; Kalluraya, Balakrishna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o491 - o492
• a: 9.6132 ± 0.0009 Å
• b: 9.8928 ± 0.001 Å
• c: 25.724 ± 0.002 Å
• α: 83.215 ± 0.002°
• β: 84.102 ± 0.002°
• γ: 72.564 ± 0.002°
• Cell volume: 2311.8 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0645
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes