Information card for entry 2015808

Structure parameters

• Common name: mesitylnitramine
• Chemical name: 2,4,6-trimethyl-N-nitroaniline
• Formula: C9 H12 N2 O2
• Calculated formula: C9 H12 N2 O2
• Title of publication: 2,4,6-Trimethyl-<i>N</i>-nitroaniline
• Authors of publication: Kyzioł, Janusz; Daszkiewicz, Zdzisław; Zaleski, Jacek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o126 - o128
• a: 7.6217 ± 0.0006 Å
• b: 15.8538 ± 0.0013 Å
• c: 16.3696 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1978 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1296
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes