Single-crystal structure determination of psilocybin after dehydration.
Sonya K. Emmett, Lee Cameron, Mark Hestermann, Darren C Holland, Simon Kessler, Luke McFarlane, Y. Chooi, S. Moggach
Acta Crystallographica Section C Structural Chemistry August 7, 2026 DOI: 10.1107/s2053229626007692 (opens in new tab)
Study at a glance
AI-extracted from the abstract| Characteristics | Experimental study Peer reviewed |
|---|---|
| Topics | Psilocybin |
| Key findings | Reports the first single-crystal X-ray diffraction determination of the low-temperature anhydrous phase of psilocybin, providing high-resolution structural models before and after in situ dehydration to compare lattice changes. |
Abstract
The crystal structure of the known low-temperature anhydrous phase of psilocybin {3-[2-(dimethylamino)ethyl]-1H-indol-4-yl dihydrogen phosphate, C12H17N2O4P} is reported. While the structure was previously characterized using powder X-ray diffraction, this study describes the first determination via single-crystal X-ray diffraction. High-resolution structural models were obtained both before and after in situ dehydration, allowing for a direct comparison of the lattice response to water loss.
Comparable studies
Other experimental studies on psilocybin, most cited first.
| Study | Year | Design | Participants |
|---|---|---|---|
| Psilocybin induces schizophrenia-like psychosis in humans via a serotonin-2 agonist action Healthy human volunteers | 1998 | Experimental study | |
| Validation of the revised Mystical Experience Questionnaire in experimental sessions with psilocybin Participants in controlled laboratory experiments receiving a moderate to high oral... | 2015 | Validation study using pooled data from five laboratory experiments | n = 184 |
| Broadband Cortical Desynchronization Underlies the Human Psychedelic State Healthy human participants | 2013 | Experimental study | |
| Long-term follow-up of psilocybin-assisted psychotherapy for psychiatric and existential distress in patients with life-threatening cancer Participants with cancer-related psychiatric distress who completed a parent randomized... | 2020 | Long-term within-subjects follow-up analysis | n = 15 |
| Enzymatic Synthesis of Psilocybin | 2017 | Laboratory study |
Citations in the library
Cites 6
- Psilocybin-assisted treatment for alcohol dependence: A proof-of-concept study Journal of Psychopharmacology January 13, 2015
- Pilot study of the 5-HT2AR agonist psilocybin in the treatment of tobacco addiction Journal of Psychopharmacology September 11, 2014
- Psilocybin – Summary of knowledge and new perspectives European Neuropsychopharmacology December 17, 2013
- Psilocybin: crystal structure solutions enable phase analysis of prior art and recently patented examples Acta Crystallographica Section C Structural Chemistry December 20, 2021
- Psilocybin: Characterization of the Metastable Zone Width (MSZW), Control of Anhydrous Polymorphs, and Particle Size Distribution (PSD) ACS Omega February 7, 2022
and 1 more in the library