Information card for entry 2022458

Structure parameters

• Common name: 5-Methyltryptammonium chloride
• Chemical name: 2-(5-Methyl-1<i>H</i>-indol-3-yl)ethan-1-aminium chloride
• Formula: C11 H15 Cl N2
• Calculated formula: C11 H15 Cl N2
• SMILES: [Cl-].[nH]1cc(c2c1ccc(c2)C)CC[NH3+]
• Title of publication: The crystalline forms of nine hydrochloride salts of substituted tryptamines
• Authors of publication: Pham, Duyen N. K.; Belanger, Zachary S.; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• a: 14.9939 ± 0.001 Å
• b: 8.427 ± 0.0005 Å
• c: 9.5388 ± 0.0006 Å
• α: 90°
• β: 107.774 ± 0.002°
• γ: 90°
• Cell volume: 1147.73 ± 0.13 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 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: 0.0607
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes