Information card for entry 2013307

Structure parameters

• Chemical name: 2,6-bis(2-benzimidazolyl) pyridine, hydrate
• Formula: C19 H15 N5 O
• Calculated formula: C19 H15 N5 O
• SMILES: [nH]1c2ccccc2nc1c1nc(ccc1)c1nc2ccccc2[nH]1.O
• Title of publication: Two hydrates of 2,6-bis(1<i>H</i>-benzimidazol-2-yl)pyridine
• Authors of publication: Eleonora Freire; Sergio Baggio; Muñoz, Juan Carlos; Ricardo Baggio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o259 - o262
• a: 7.522 ± 0.002 Å
• b: 20.367 ± 0.003 Å
• c: 11.264 ± 0.002 Å
• α: 90°
• β: 103.76 ± 0.02°
• γ: 90°
• Cell volume: 1676.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0873
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes