Information card for entry 2237962

Structure parameters

• Chemical name: 4-(1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridin-2-yl)pyridine
• Formula: C12 H9 N3
• Calculated formula: C12 H9 N3
• SMILES: [nH]1c(cc2cccnc12)c1ccncc1
• Title of publication: 4-(1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridin-2-yl)pyridine
• Authors of publication: Huang, Ping-Hsin; Wen, Yuh-Sheng; Shen, Jiun-Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o674
• a: 6.5529 ± 0.0005 Å
• b: 10.0457 ± 0.0008 Å
• c: 14.5282 ± 0.0011 Å
• α: 83.372 ± 0.002°
• β: 86.697 ± 0.002°
• γ: 87.427 ± 0.002°
• Cell volume: 947.69 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes