Information card for entry 2022827

Structure parameters

• Common name: <i>N</i>-Cyclohexyltryptammonium bromide
• Chemical name: <i>N</i>-[2-(1<i>H</i>-Indol-3-yl)ethyl]cyclohexanaminium bromide
• Formula: C16 H23 Br N2
• Calculated formula: C16 H23 Br N2
• Title of publication: N-Cyclohexyltryptamine: freebase, bromide and fumarate
• Authors of publication: Naeem, Marilyn; Le, Alexander N.; Bauer, Barbara E.; 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: 8
• Pages of publication: 752 - 756
• a: 10.5584 ± 0.0006 Å
• b: 7.9266 ± 0.0005 Å
• c: 19.4507 ± 0.0013 Å
• α: 90°
• β: 92.406 ± 0.002°
• γ: 90°
• Cell volume: 1626.44 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes