Information card for entry 2244048

Structure parameters

• Common name: Serotonin or 5-hydroxytryptamine (5-HT)
• Chemical name: 3-(2-Aminoethyl)-1<i>H</i>-indol-5-ol
• Formula: C10 H12 N2 O
• Calculated formula: C10 H12 N2 O
• SMILES: Oc1ccc2[nH]cc(c2c1)CCN
• Title of publication: Crystal structure of serotonin
• Authors of publication: Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 4
• a: 8.2248 ± 0.0006 Å
• b: 8.7542 ± 0.0006 Å
• c: 13.0712 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 941.15 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes