Information card for entry 1501694

Structure parameters

• Formula: C2 H8 Cl N
• Calculated formula: C2 H8 Cl N
• SMILES: [NH3+]CC.[Cl-]
• Title of publication: Thermal and structural properties of ethylammonium chloride and its mixture with water.
• Authors of publication: Migliorati, Valentina; Ballirano, Paolo; Gontrani, Lorenzo; Triolo, Alessandro; Caminiti, Ruggero
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2011
• Journal volume: 115
• Journal issue: 17
• Pages of publication: 4887 - 4899
• a: 8.26299 ± 0.00014 Å
• b: 6.00194 ± 0.00008 Å
• c: 4.56608 ± 0.00007 Å
• α: 90°
• β: 94.2299 ± 0.0014°
• γ: 90°
• Cell volume: 225.833 ± 0.006 ų
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• RFsqd: 0.0641
• Goodness-of-fit parameter for all reflections: 1.43
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: Kα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No