Information card for entry 2001111

Structure parameters

• Formula: C7 H11 N3 O4
• Calculated formula: C7 H11 N3 O4
• SMILES: O=CC1=C(N)N(C)C(=O)N(C1=O)C.O
• Title of publication: Structures of 6-amino-1,3-dimethyl-5-nitrosouracil monohydrate and 6-amino-5-formyl-1,3-dimethyluracil monohydrate
• Authors of publication: Low, J. N.; Howie, R. A.; Hueso-Ureña, F.; Moreno-Carretero, M. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 1
• Pages of publication: 145 - 147
• a: 15.557 ± 0.011 Å
• b: 7.562 ± 0.011 Å
• c: 16.972 ± 0.013 Å
• α: 90°
• β: 116.69 ± 0.05°
• γ: 90°
• Cell volume: 1784 ± 3 ų
• 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
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No