Information card for entry 7053336

Structure parameters

• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: Oc1ccc(O)cc1.O=C(N(C)C)C
• Title of publication: Three new co-crystals of hydroquinone: crystal structures and Hirshfeld surface analysis of intermolecular interactions
• Authors of publication: Clausen, Henrik F.; Chevallier, Marie S.; Spackman, Mark A.; Iversen, Bo B.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 193
• a: 11.1325 ± 0.0006 Å
• b: 9.041 ± 0.0005 Å
• c: 21.0854 ± 0.0011 Å
• α: 90°
• β: 100.098 ± 0.004°
• γ: 90°
• Cell volume: 2089.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.142
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No