Information card for entry 2100338

Structure parameters

• Common name: alpha-NTO
• Formula: C2 H2 N4 O3
• Calculated formula: C2 H2 N4 O3
• SMILES: N1NC(=O)NC=1N(=O)=O
• Authors of publication: Bolotina, Nadezhda B.; Kirschbaum, Kristin; Pinkerton, A.Alan
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 2005
• Journal volume: 61
• Pages of publication: 577 - 584
• a: 5.1233 ± 0.0008 Å
• b: 10.314 ± 0.0016 Å
• c: 17.998 ± 0.003 Å
• α: 106.61 ± 0.002°
• β: 97.81 ± 0.002°
• γ: 90.13 ± 0.002°
• Cell volume: 902.1 ± 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
• Duplicate of: 2100221
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No