Information card for entry 8102843

Structure parameters

• Formula: C8 H7 N3
• Calculated formula: C8 H7 N3
• SMILES: [nH]1ccnc1c1ccccn1
• Title of publication: Crystal structure of 2-(2'-pyridyl)imidazole, C8H7N3
• Authors of publication: Bernard Tinant; Caroline Decamp; François Robert; Yann Garcia
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 4
• Pages of publication: 729
• a: 13.452 ± 0.005 Å
• b: 14.016 ± 0.005 Å
• c: 17.086 ± 0.006 Å
• α: 73.38 ± 0.02°
• β: 71.56 ± 0.02°
• γ: 75.12 ± 0.02°
• Cell volume: 2878.9 ± 1.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No