Information card for entry 2209119

Structure parameters

• Chemical name: 4'-Chloro-2,2':6',2''-terpyridine
• Formula: C15 H10 Cl N3
• Calculated formula: C15 H10 Cl N3
• SMILES: Clc1cc(nc(c1)c1ncccc1)c1ncccc1
• Title of publication: 4'-Chloro-2,2':6',2''-terpyridine
• Authors of publication: Beves, Jonathon E.; Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2497 - o2498
• a: 29.8317 ± 0.0015 Å
• b: 3.8344 ± 0.0002 Å
• c: 10.6476 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1217.94 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• 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: 0.0468
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for all reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes