Information card for entry 2218689

Structure parameters

• Chemical name: 3-(4-Chlorophenyldiazenyl)-1-methyl-1,4,5,6-tetrahydropyridine
• Formula: C12 H14 Cl N3
• Calculated formula: C12 H14 Cl N3
• SMILES: Clc1ccc(N=NC2=CN(CCC2)C)cc1
• Title of publication: 3-(4-Chlorophenyldiazenyl)-1-methyl-1,4,5,6-tetrahydropyridine
• Authors of publication: Meneghetti, Fiorella; Bombieri, Gabriella; Tonelli, Michele
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1297
• a: 6.251 ± 0.002 Å
• b: 8.483 ± 0.003 Å
• c: 11.824 ± 0.004 Å
• α: 77.59 ± 0.01°
• β: 78.45 ± 0.01°
• γ: 87.01 ± 0.02°
• Cell volume: 599.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes