Information card for entry 2100229

Structure parameters

• Common name: quinol:piperazine
• Formula: C10 H16 N2 O2
• Calculated formula: C10 H16 N2 O2
• SMILES: N1CCNCC1.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: 5.706 ± 0.0015 Å
• b: 6.7599 ± 0.0019 Å
• c: 7.0771 ± 0.0018 Å
• α: 100.269 ± 0.004°
• β: 112.446 ± 0.003°
• γ: 90.163 ± 0.003°
• Cell volume: 247.5 ± 0.11 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: 0.0537
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes