Information card for entry 2010246

Structure parameters

• Formula: C15 H11 Cl N2 O S2
• Calculated formula: C15 H11 Cl N2 O S2
• SMILES: CSc1nn2c(c1SC(=O)c1ccc(cc1)Cl)cccc2
• Title of publication: Structures of pyrazolo[1,5-<i>a</i>]pyridine derivatives
• Authors of publication: Kakehi, A.; Kitajima, K.; Ito, S.; Takusagawa, N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1998 - 2000
• a: 16.94 ± 0.002 Å
• b: 5.68 ± 0.001 Å
• c: 17.388 ± 0.001 Å
• α: 90°
• β: 115.88 ± 0.006°
• γ: 90°
• Cell volume: 1505.3 ± 0.3 ų
• Cell temperature: 293 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 significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.046
• Goodness-of-fit parameter for significantly intense reflections: 1.29
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No