Information card for entry 7212507

Structure parameters

• Common name: pyridine
• Chemical name: pyridine
• Formula: C5 H5 N
• Calculated formula: C5 H5 N
• SMILES: n1ccccc1
• Title of publication: Density, freezing and molecular aggregation in pyridazine, pyridine and benzene
• Authors of publication: Podsiadło, Marcin; Jakóbek, Katarzyna; Katrusiak, Andrzej
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 2561
• a: 17.267 ± 0.004 Å
• b: 8.764 ± 0.0018 Å
• c: 11.006 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1665.5 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Ambient diffracton pressure: 1230000 kPa
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1611
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.196
• Weighted residual factors for all reflections included in the refinement: 0.2302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No