The title compound, C(20)H(19)N(5)O(2), exhibits whole-mol-ecule disorder the refined ratios of the two components being 0.57 (2):0.43 (2). In the major component, the essentially planar [maximum deviation 0.033 (17) Å] fused pyrimidine and triazole ring system forms a dihedral angle of 10.5 (3)° with the phenyl ring, while in the minor component of disorder this angle is 27.5 (5)°. The crystal structure is stabilized by π-π stacking inter-actions between symmetry-related triazole and pyrimidine rings, with centroid-centroid distances of 3.594 (10) Å.
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http://dx.doi.org/10.1107/S1600536809039798 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
May 2024
Canna-Chemistries LLC, 400 Main Street, Vincennes IN 47906, USA.
The title compound, CHNO, is a hy-droxy-substituted mono-amine alkaloid, and the primary metabolite of the naturally occurring psychedelic compound psilocybin. Crystalline forms of psilocin are known, but their characterization by single-crystal structure analysis is limited. Herein, two anhydrous polymorphic forms (I and II) of psilocin are described.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
January 2023
Department of Chemistry, University of Kentucky, Lexington, KY, 40506-0055, USA.
The crystal structure of ethiprole {systematic name: 5-amino-1-[2,6-di-chloro-4-(tri-fluoro-meth-yl)phen-yl]-4-ethane-sulfinyl-1-imidazole-3-carbo-nitrile}, CHClFNOS, a phenyl-pyrazole-based insecticide, is presented. The pyrazole ring carries four substituents: an N-bound 2,6-di-chloro-4-tri-fluoro-methyl-phenyl ring and C-bound amine, ethane-sulfinyl, and cyano groups. The sulfur atom of the ethane-sulfinyl group is trigonal-pyramidal and stereogenic.
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March 2022
Environmental Molecular and Structural Chemistry Research Unit, University of Constantine-1, 25000, Constantine, Algeria.
In the title hydrated mol-ecular salt {systematic name: 4-[amino-(iminium-yl)meth-yl]pyridin-1-ium hexa-chlorido-stannate(IV) dihydrate}, (CHN)[SnCl]·2HO, the tin atom lies on a crystallographic inversion centre and the organic cation shows whole-mol-ecule disorder. Numerous N-H⋯O, N-H⋯Cl and O-H⋯Cl hydrogen bonds link the components in the crystal.
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February 2021
Polymerization Manufacturing Technology Research Team, Lotte Chemicals, 334-27 Yeosu Sandan-ro, Yeosu, 59616, South Korea.
The square-planar nickel(II) title complex, [Ni(CHFN)](ClO) or [Ni](ClO) ( = 3,10-bis-(4-fluoro-pheneth-yl)-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne) was synthesized by a one-pot reaction of template condensation and its X-ray crystal structure was determined. The nickel(II) ion lies close by a twofold axis and the complex displays whole-mol-ecule disorder. Ligand , a hexa-aza-cyclo-tetra-decane ring having 4-fluoro-phenethyl side chains attached to uncoordinated nitro-gen atoms, adopts a III (, configuration.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
November 2020
School of Chemistry and Molecular Bioscience, University of Wollongong, Wollongong, New South Wales 2522, Australia.
The structure of the racemic version of the natural product Goniotamirenone C [racemic -6-(2-chloro-1-hy-droxy-2-phenyl-eth-yl)-2-pyran-2-one, CHClO] at 150 K is reported. The compound crystallizes with monoclinic (2/) symmetry and with ' = 2. One independent mol-ecule is ordered while the other independent mol-ecule exhibits an inter-esting whole-mol-ecule enanti-omeric disorder with occupancies of 0.
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