Information card for entry 7203054

Structure parameters

• Formula: C H5 N3 O4
• Calculated formula: C H5 N3 O4
• SMILES: O=N(=O)[O-].OC(=[NH2+])N
• Title of publication: NO3‒⋯NO3‒ and NO3‒⋯π interactions in the crystal of urea nitrate
• Authors of publication: Nelyubina, Yulia V.; Lyssenko, Konstantin A.; Golovanov, Denis G.; Antipin, Mikhail Yu.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 991
• a: 7.9761 ± 0.0001 Å
• b: 8.2004 ± 0.0001 Å
• c: 7.3668 ± 0.0001 Å
• α: 90°
• β: 103.414 ± 0.001°
• γ: 90°
• Cell volume: 468.697 ± 0.011 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No