Information card for entry 7050971

Structure parameters

• Formula: C24 H30 N6 O6
• Calculated formula: C12 H15 N3 O3
• SMILES: O=c1c([O-])ccccc1.[nH+]1c(N)cccc1N.O
• Title of publication: Hydrogen-bonded supramolecular structurs in co-crystals of beta- or zeta-diketone enols with 2,6-diaminopyridine or 2,4-diaminopyrimidine.
• Authors of publication: V. Bertolasi; V. Ferretti; P. Gilli; Gastone Gilli; L. Pretto
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• a: 10.376 ± 0.003 Å
• b: 17.697 ± 0.002 Å
• c: 14.647 ± 0.003 Å
• α: 90°
• β: 109.23 ± 0.02°
• γ: 90°
• Cell volume: 2539.5 ± 0.9 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No