Information card for entry 2240558

Structure parameters

• Chemical name: 2-(1<i>H</i>-Imidazol-4-yl)ethanaminium chloride
• Formula: C5 H10 Cl N3
• Calculated formula: C5 H10 Cl N3
• SMILES: [NH3+]CCc1nc[nH]c1.[Cl-]
• Title of publication: Crystal structure of 2-(1<i>H</i>-imidazol-4-yl)ethanaminium chloride
• Authors of publication: Belfilali, Imene; Yebdri, Siham; Louhibi, Samira; Boukli-hacene, Leila; Roisnel, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o301 - o302
• a: 4.584 ± 0.0002 Å
• b: 9.1614 ± 0.0003 Å
• c: 17.3114 ± 0.0005 Å
• α: 90°
• β: 91.682 ± 0.001°
• γ: 90°
• Cell volume: 726.69 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes