Information card for entry 2103466

Structure parameters

• Common name: Paracetamol-bipyridine
• Formula: C18 H17 N3 O2
• Calculated formula: C18 H17 N3 O2
• SMILES: Oc1ccc(cc1)NC(=O)C.n1ccc(cc1)c1ccncc1
• Title of publication: The formation of paracetamol (acetaminophen) adducts with hydrogen-bond acceptors
• Authors of publication: Oswald, Iain D. H.; Allan, David R.; McGregor, Pamela A.; Motherwell, W. D. Samuel; Parsons, Simon; Pulham, Colin R.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 6
• Pages of publication: 1057 - 1066
• a: 11.2906 ± 0.001 Å
• b: 24.103 ± 0.002 Å
• c: 11.5526 ± 0.001 Å
• α: 90°
• β: 96.1484 ± 0.0016°
• γ: 90°
• Cell volume: 3125.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.063
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes