Information card for entry 2100235

Structure parameters

• Common name: Quinol:dimethylpiperazine
• Formula: C12 H20 N2 O2
• Calculated formula: C12 H20 N2 O2
• SMILES: Oc1ccc(cc1)O.CN1CCN(CC1)C
• 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: 8.962 ± 0.0008 Å
• b: 9.4944 ± 0.0008 Å
• c: 14.7119 ± 0.0013 Å
• α: 90.501 ± 0.002°
• β: 92.919 ± 0.002°
• γ: 99.664 ± 0.002°
• Cell volume: 1232.26 ± 0.19 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: 0.1148
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes