Information card for entry 2244236

Structure parameters

• Common name: <i>N</i>-Isopropyl-4-benzyloxy-3-indoleglyoxylamide
• Chemical name: 2-[4-(Benzyloxy)-1<i>H</i>-indol-3-yl]-2-oxo-<i>N</i>-(propan-2-yl)acetamide
• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• 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: 16.423 ± 0.0013 Å
• b: 6.5609 ± 0.0004 Å
• c: 33.469 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3606.3 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.15 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes