Information card for entry 2010245

Structure parameters

• Formula: C14 H9 N3
• Calculated formula: C14 H9 N3
• SMILES: N#Cc1c(nn2c1cccc2)c1ccccc1
• 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: 5.506 ± 0.001 Å
• b: 9.754 ± 0.002 Å
• c: 20.339 ± 0.002 Å
• α: 90°
• β: 91.19 ± 0.02°
• γ: 90°
• Cell volume: 1092.1 ± 0.3 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• 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: 0.047
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.57
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No