Information card for entry 2011297

Structure parameters

• Chemical name: 1-Methyl-3,5-di(N,N-dimethylaminomethylen)amino-4-nitropyrazol
• Formula: C10 H17 N7 O2
• Calculated formula: C10 H17 N7 O2
• SMILES: c1(c(n(nc1N=CN(C)C)C)\N=C/N(C)C)N(=O)=O
• Title of publication: 3,5-Bis[(<i>N</i>,<i>N</i>-dimethylamino)methyleneamino]-1-methyl-4-nitropyrazole from X-ray powder diffraction data
• Authors of publication: Chernyshev, Vladimir V.; Tafeenko, Victor A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1159 - 1160
• a: 9.577 ± 0.004 Å
• b: 9.972 ± 0.004 Å
• c: 7.602 ± 0.004 Å
• α: 106.11 ± 0.03°
• β: 95.12 ± 0.03°
• γ: 78.22 ± 0.03°
• Cell volume: 682.4 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Goodness-of-fit parameter for all reflections: 2.67
• Diffraction radiation wavelength: 1.54059 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No