Information card for entry 2211597

Structure parameters

• Chemical name: 1,5-Dimethyl-2-nitrimino-1,2-dihydropyridine
• Formula: C7 H9 N3 O2
• Calculated formula: C7 H9 N3 O2
• SMILES: N1(C(C=CC(=C1)C)=NN(=O)=O)C
• Title of publication: 1,5-Dimethyl-2-nitrimino-1,2-dihydropyridine
• Authors of publication: Kyzioł, Janusz B.; Przemysław Nogły; Daszkiewicz, Zdzisław; Zaleski, Jacek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5485 - o5487
• a: 14.3053 ± 0.0017 Å
• b: 7.6741 ± 0.001 Å
• c: 15.79 ± 0.002 Å
• α: 90°
• β: 114.586 ± 0.012°
• γ: 90°
• Cell volume: 1576.3 ± 0.4 ų
• Cell temperature: 85 ± 0.1 K
• Ambient diffraction temperature: 85 ± 0.1 K
• 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
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes