Information card for entry 2235214

Structure parameters

• Chemical name: 2-(1<i>H</i>-Pyrrolo[2,3-<i>b</i>]pyridin-2-yl)pyridine
• Formula: C12 H9 N3
• Calculated formula: C12 H9 N3
• SMILES: n1cccc2c1[nH]c(c2)c1ncccc1
• Title of publication: 2-(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: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1943
• a: 10.1416 ± 0.001 Å
• b: 13.7428 ± 0.0014 Å
• c: 6.7395 ± 0.0007 Å
• α: 90°
• β: 94.331 ± 0.002°
• γ: 90°
• Cell volume: 936.63 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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 all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes