Information card for entry 2244237

Structure parameters

• Common name: 4-Benzyloxy-<i>N</i>-isopropyltryptammonium chloride
• Chemical name: {2-[4-(Benzyloxy)-1<i>H</i>-indol-3-yl]ethyl}(propan-2-yl)azanium chloride
• Formula: C20 H25 Cl N2 O
• Calculated formula: C20 H25 Cl N2 O
• Title of publication: Synthesis and structure of 4-hy-droxy-<i>N</i>-iso-propyl-tryptamine (4-HO-NiPT) and its precursors.
• Authors of publication: Laban, Uroš; Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2023
• Journal volume: 79
• Journal issue: Pt 4
• Pages of publication: 280 - 286
• a: 10.1895 ± 0.0009 Å
• b: 10.9117 ± 0.0007 Å
• c: 17.6887 ± 0.0014 Å
• α: 86.798 ± 0.003°
• β: 79.34 ± 0.003°
• γ: 87.587 ± 0.003°
• Cell volume: 1928.7 ± 0.3 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes