Information card for entry 2244238

Structure parameters

• Common name: 4-Hydroxy-<i>N</i>-isopropyltryptamine
• Chemical name: 3-[2-(Propan-2-ylamino)ethyl]-1<i>H</i>-indol-4-ol
• Formula: C13 H18 N2 O
• Calculated formula: C13 H18 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: 8.4065 ± 0.0005 Å
• b: 14.3944 ± 0.0009 Å
• c: 19.8501 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2402 ± 0.2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes