Information card for entry 2211791

Structure parameters

• Chemical name: Pyridin-4-ol‒hydroquinone (2/1)
• Formula: C16 H16 N2 O4
• Calculated formula: C16 H16 N2 O4
• SMILES: Oc1ccncc1.Oc1ccncc1.Oc1ccc(cc1)O
• Title of publication: Pyridin-4-ol‒hydroquinone (1/1)
• Authors of publication: Kartal, Aslı; Albayrak, Çig̃dem; Ocak Ískeleli, Nazan; Ag̃ar, Erbil; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o193 - o194
• a: 6.2244 ± 0.0006 Å
• b: 17.3662 ± 0.0015 Å
• c: 7.1342 ± 0.0008 Å
• α: 90°
• β: 109.585 ± 0.008°
• γ: 90°
• Cell volume: 726.55 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes