Information card for entry 2100234

Structure parameters

• Common name: quinol:2(N-methylmorpholine)
• Chemical name: N-methylmorpholine hemi-quinol
• Formula: C16 H28 N2 O4
• Calculated formula: C16 H28 N2 O4
• SMILES: CN1CCOCC1.CN1CCOCC1.Oc1ccc(cc1)O
• Title of publication: Formation of quinol co-crystals with hydrogen-bond acceptors
• Authors of publication: Oswald, Iain D. H.; Motherwell, W. D. Samuel; Parsons, Simon
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 1
• Pages of publication: 46 - 57
• a: 6.9612 ± 0.001 Å
• b: 7.3146 ± 0.0011 Å
• c: 9.659 ± 0.002 Å
• α: 106.182 ± 0.003°
• β: 104.481 ± 0.003°
• γ: 106.201 ± 0.002°
• Cell volume: 423.96 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No