Information card for entry 7225222

Structure parameters

• Formula: C19 H13 N3 O2 S
• Calculated formula: C19 H13 N3 O2 S
• SMILES: n1c(c2ccccn2c1c1ccccc1)Sc1cccc(c1)N(=O)=O
• Title of publication: Tandem Approach for the Synthesis of 3-Sulfenylimidazo[1,5-a]pyridines from Dithioesters
• Authors of publication: Ramesh, A. B.; Pavankumar, C. S.; Sandhya, Nagarakere C.; Kumara, M. N.; Kempegowda, Mantelingu; Rangappa, Kanchugarakoppal S.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.6224 ± 0.0012 Å
• b: 14.7044 ± 0.0019 Å
• c: 11.8502 ± 0.0016 Å
• α: 90°
• β: 98.565 ± 0.004°
• γ: 90°
• Cell volume: 1658 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No