Information card for entry 2019219

Structure parameters

• Chemical name: 5,7-Dihydroxy-3-(4-hydroxyphenyl)chromen-4-one‒pyridine-4-carboxamide (1/2)
• Formula: C27 H22 N4 O7
• Calculated formula: C27 H22 N4 O7
• SMILES: NC(=O)c1ccncc1.NC(=O)c1ccncc1.Oc1ccc(cc1)c1coc2c(c1=O)c(O)cc(c2)O
• Title of publication: A 1:2 cocrystal of genistein with isonicotinamide: crystal structure and Hirshfeld surface analysis
• Authors of publication: Sowa, Michał; Ślepokura, Katarzyna; Matczak-Jon, Ewa
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1267 - 1272
• a: 8.233 ± 0.003 Å
• b: 11.872 ± 0.004 Å
• c: 13.773 ± 0.004 Å
• α: 109.61 ± 0.03°
• β: 95.34 ± 0.03°
• γ: 109.75 ± 0.03°
• Cell volume: 1160.7 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0755
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1409
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No