Information card for entry 7204665

Structure parameters

• Common name: 1:2 molecular complex of hydroquinone and isonicotinamide
• Chemical name: 1:2 molecular complex of hydroquinone and isonicotinamide
• Formula: C9 H9 N2 O2
• Calculated formula: C9 H9 N2 O2
• Title of publication: Supramolecular synthons in phenol?isonicotinamide adducts
• Authors of publication: Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.
• Journal of publication: CrystEngComm
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 31
• Pages of publication: 164
• a: 14.2811 ± 0.0004 Å
• b: 5.4136 ± 0.0002 Å
• c: 11.911 ± 0.0003 Å
• α: 90°
• β: 111.934 ± 0.001°
• γ: 90°
• Cell volume: 854.21 ± 0.05 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No