Information card for entry 7051055

Structure parameters

• Formula: C11 H15 N5 O3
• Calculated formula: C11 H15 N5 O3
• SMILES: O=C1N(C(=O)N(C([O-])=C1)C)C.[nH+]1c(N)cccc1N
• Journal of publication: New Journal of Chemistry
• Year of publication: 2001
• a: 7.262 ± 0.001 Å
• b: 9.466 ± 0.003 Å
• c: 9.839 ± 0.001 Å
• α: 91.28 ± 0.02°
• β: 109.46 ± 0.01°
• γ: 94.01 ± 0.02°
• Cell volume: 635.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No