Information card for entry 2200279

Structure parameters

• Chemical name: (3-Methylbut-2-enyl)ammonium chloride
• Formula: C5 H12 Cl N
• Calculated formula: C5 H12 Cl N
• SMILES: [Cl-].[NH3+]C\C=C(/C)C
• Title of publication: (3-Methylbut-2-enyl)ammonium chloride
• Authors of publication: Kruszynski, Rafal; Czestkowski Wojciech; .
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: o516 - o518
• a: 14.1286 ± 0.0012 Å
• b: 5.8874 ± 0.0007 Å
• c: 8.8335 ± 0.0009 Å
• α: 90°
• β: 94.321 ± 0.008°
• γ: 90°
• Cell volume: 732.69 ± 0.13 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 1 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: 0.0495
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes