The crystal structures of methoxmetamine hydrochloride and methoxetamine hydrochloride determined from laboratory X-ray powder diffraction data contained in the Powder Diffraction File™
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22330%2F25%3A43934201" target="_blank" >RIV/60461373:22330/25:43934201 - isvavai.cz</a>
Alternative codes found
RIV/44555601:13440/25:43899681
Result on the web
<a href="https://www.cambridge.org/core/journals/powder-diffraction/article/crystal-structures-of-methoxmetamine-hydrochloride-and-methoxetamine-hydrochloride-determined-from-laboratory-xray-powder-diffraction-data-contained-in-the-powder-diffraction-file/5B7C736A647521FE3851B974117A94AF" target="_blank" >https://www.cambridge.org/core/journals/powder-diffraction/article/crystal-structures-of-methoxmetamine-hydrochloride-and-methoxetamine-hydrochloride-determined-from-laboratory-xray-powder-diffraction-data-contained-in-the-powder-diffraction-file/5B7C736A647521FE3851B974117A94AF</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1017/S0885715625100948" target="_blank" >10.1017/S0885715625100948</a>
Alternative languages
Result language
angličtina
Original language name
The crystal structures of methoxmetamine hydrochloride and methoxetamine hydrochloride determined from laboratory X-ray powder diffraction data contained in the Powder Diffraction File™
Original language description
The crystal structures of two arylcyclohexylamine derivatives - methoxmetamine<middle dot>HCl (2-(3-methoxyphenyl)-2-(methylamino)cyclohexan-1-one hydrochloride, MMXE<middle dot>HCl) and methoxetamine<middle dot>HCl (2-(ethylamino)-2-(3-methoxyphenyl)cyclohexan-1-one hydrochloride, MXE<middle dot>HCl) - have been determined using laboratory X-ray powder diffraction data contained in the Powder Diffraction File (TM). MMXE<middle dot>HCl and MXE<middle dot>HCl exhibit anesthetic and sedative effects and have been illicitly used as recreational drugs due to their dissociative hallucinogenic and euphoriant effects. The structure determination of MMXE<middle dot>HCl and MXE<middle dot>HCl was carried out with DASH, and the Rietveld refinements were performed with TOPAS Academic in monoclinic unit cells. The parameters obtained for MMXE<middle dot>HCl were a = 15.0429(5) & Aring;, b = 14.0721(5) & Aring;, c = 6.5716(2) & Aring;, beta = 90.9864(14)degrees, and V = 1,390.91(8) & Aring;3, with Z = 4 and space group P21/n. The parameters obtained for MXE<middle dot>HCl were a = 8.7772(5) & Aring;, b = 9.9528(7) & Aring;, c = 8.5841(6) & Aring;, beta = 100.276(3)degrees, and V = 737.86(8) & Aring;3, with Z = 2 and space group P21. The structures were validated by dispersion-corrected DFT calculations. Hirshfeld surface analysis and fingerprint plots calculations are also reported.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
20500 - Materials engineering
Result continuities
Project
<a href="/en/project/VK01010212" target="_blank" >VK01010212: New psychoactive substances: forensic-toxicology research center</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
POWDER DIFFRACTION
ISSN
0885-7156
e-ISSN
1945-7413
Volume of the periodical
40
Issue of the periodical within the volume
4
Country of publishing house
US - UNITED STATES
Number of pages
12
Pages from-to
257-268
UT code for WoS article
001626899200001
EID of the result in the Scopus database
2-s2.0-105023692142