The cyclo-hexene ring that constitutes a part of the tetra-hydroxanthene fused-ring system of the title compound, C(23)H(26)O(4), adopts a flattened half-chair conformation that approximates an envelope conformation (in which the methyl-ene C atom bearing the two methyl substituents represents the flap) as five of the six atoms lie approximately on a plane (r.m.s. deviation = 0.020 Å). The mean plane of the cyclo-hexene ring with the hy-droxy substituent is approximately perpendicular to the mean plane of the tetra-hydroxanthene system. In the crystal, adjacent mol-ecules are linked by O-H⋯O(carbon-yl) hydrogen bonds into a chain running along the b axis.
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http://dx.doi.org/10.1107/S1600536812018934 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
August 2024
Drug Discovery and Smart Molecules Research Laboratory, Department of Chemical, Sciences, University of Johannesburg, PO Box 17011, Doornfontein, Johannesburg 2028, South Africa.
This title compound, CHO, was isolated from the benzene fraction of the stem bark of Warb. (Myristicaceae) using column chromatography techniques over silica gel. The compound was fully characterized by single-crystal X-ray diffraction, one and two-dimensional NMR spectroscopy, IR and MS spectrometry.
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May 2024
Department of Chemistry, Baku State University, Z. Khalilov str. 23, Az, 1148, Baku, Azerbaijan.
In the title compound, CHNOS, the cyclo-hexene ring adopts nearly an envelope conformation. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, forming a three-dimensional network. In addition, C-H⋯π inter-actions connect the mol-ecules by forming layers parallel to the (010) plane.
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December 2023
Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal.
In the title compound, CHFNO, which crystallizes in the ortho-rhom-bic 2 space group with = 4, the 1,4-di-hydro-pyridine ring adopts a distorted boat conformation, while the cyclo-hexene ring is in a distorted half-chair conformation. In the crystal, the mol-ecules are linked by N-H⋯O and C-H⋯O inter-actions, forming supra-molecular chains parallel to the axis. These chains pack with C-H⋯π inter-actions between them, forming layers parallel to the (010) plane.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
June 2023
Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal.
The 1,4-di-hydro-pyridine ring of the title compound, CHFNO, adopts a distorted boat conformation, while the cyclo-hexene ring is in an almost twist-boat conformation. In the crystal, N-H⋯O and C-H⋯O hydrogen bonds as well as C-H⋯π inter-actions connect mol-ecules, forming layers parallel to the (100) plane. These layers are linked by van der Waals forces and C-H⋯F inter-actions, which consolidate the crystal structure.
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May 2023
Laboratory of Medicinal Chemistry, Drug Sciences Research Center, Faculty of Medicine and Pharmacy, Mohammed V University in Rabat, Morocco.
The triazole ring in the title mol-ecule, CHNO, is not quite coplanar with the six-membered ring to which it is fused, the dihedral angle between the two least-squares planes being 2.52 (6)°. In the crystal, a layered structure is formed by N-H⋯N and C-H⋯O hydrogen bonds plus slipped π-stacking inter-actions, with the fused cyclo-hexene rings projecting to either side.
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