Information card for entry 7061273

Structure parameters

• Chemical name: Bis[2-phenylimidazo[1,2-a]pyridin-3-yl]sulfane
• Formula: C26 H18 N4 S
• Calculated formula: C26 H18 N4 S
• SMILES: c1cccc2n1c(c(c1ccccc1)n2)Sc1c(c2ccccc2)nc2ccccn12
• Title of publication: Diethyl phosphite-mediated switchable synthesis of bis(imidazoheterocycles) derived disulfanes and sulfanes using imidazoheterocycles and octasulfur
• Authors of publication: Reddy, Raju Jannapu; Shankar, Angothu; Kumar, Jangam Jagadesh; Sharadha, Nunavath; Krishna, Gamidi Rama
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 4784 - 4791
• a: 11.9878 ± 0.0011 Å
• b: 13.8358 ± 0.0016 Å
• c: 12.521 ± 0.0014 Å
• α: 90°
• β: 101.924 ± 0.004°
• γ: 90°
• Cell volume: 2031.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No