Information card for entry 2226260

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-Bis(cyanomethyl)nitrous amide
• Formula: C4 H4 N4 O
• Calculated formula: C4 H4 N4 O
• SMILES: O=NN(CC#N)CC#N
• Title of publication: <i>N</i>,<i>N</i>-Bis(cyanomethyl)nitrous amide
• Authors of publication: Zhang, Yuan; Han, Meng Ting
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1362
• a: 6.5622 ± 0.0013 Å
• b: 8.9765 ± 0.0018 Å
• c: 11.008 ± 0.004 Å
• α: 90°
• β: 108.55 ± 0.03°
• γ: 90°
• Cell volume: 614.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0634
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1494
• Weighted residual factors for all reflections included in the refinement: 0.1623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes