Information card for entry 2000268

Structure parameters

• Formula: C12 H12 N2 O4
• Calculated formula: C12 H12 N2 O4
• SMILES: COc1ccc(c(c1)O)C1=CC(=O)N(C(=O)C1)N
• Title of publication: The rearrangement of coumarin-4-acethydrazides. Structure of 1-amino-4-(2-hydroxy-4-methoxyphenyl)-2,6(1<i>H</i>,3<i>H</i>)-pyridinedione
• Authors of publication: Baggett, N.; Case, M. A.; Foulon, J.-D.; Gray, C. J.; Hamor, T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 1670 - 1672
• a: 6.793 ± 0.002 Å
• b: 7.209 ± 0.011 Å
• c: 11.405 ± 0.004 Å
• α: 88.77 ± 0.07°
• β: 89.06 ± 0.02°
• γ: 74.62 ± 0.06°
• Cell volume: 538.4 ± 0.9 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No