Information card for entry 2241793

Structure parameters

• Chemical name: 1,1-Dimethylhydrazin-1-ium bromide
• Formula: C2 H9 Br N2
• Calculated formula: C2 H9 Br N2
• SMILES: N[NH+](C)C.[Br-]
• Title of publication: Different cation-protonation patterns in molecular salts of unsymmetrical dimethyhydrazine: C~2~H~9~N~2~·Br and C~2~H~9~N~2~·H~2~PO~3~
• Authors of publication: Katinaitė, Judita; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1206 - 1210
• a: 13.2423 ± 0.0002 Å
• b: 5.1239 ± 0.0001 Å
• c: 16.1839 ± 0.0003 Å
• α: 90°
• β: 94.838 ± 0.002°
• γ: 90°
• Cell volume: 1094.2 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes