In the title compound, C18H23NO3, the cyclo-hexane ring has a chair conformation. The oxirane plane (OCC) makes a dihedral angle of 76.15 (13)° with that of the pyrrolidine ring to which it is fused. The mean plane of the cyclo-hexane ring and the benzene ring are almost normal to the pyrrolidine ring, with dihedral angles of 88.47 (8) and 77.85 (8)°, respectively. In the crystal, mol-ecules are linked via pairs of N-H⋯O hydrogen bonds, forming inversion dimers. These dimers are linked via pairs of C-H⋯O hydrogen bonds, forming chains along the a-axis direction.
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http://dx.doi.org/10.1107/S1600536813005138 | DOI Listing |
Acta Crystallogr E Crystallogr Commun
January 2025
Department of Applied Chemistry, Faculty of Science and Technology, Keio University, Hiyoshi 3-14-1, Kohoku-ku, Yokohama 223-8522, Japan.
The title compounds, CHO ( and ), are tetra-cyclic benzoates composed of a taxane ring with a fused dioxolane ring as the core skeleton. In compound , the five-membered dioxolane ring is essentially planar while the two cyclo-hexane rings and the cyclo-octane ring adopt chair and chair-chair forms, respectively, and there are three intra-molecular H⋯H short contacts. The corresponding ring conformations in are similar; however, one intra-molecular C-H⋯O inter-action and two H⋯H short contacts are observed, and the benzoyl and meth-oxy-methyl groups show orientational disorder.
View Article and Find Full Text PDFActa 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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March 2024
Institut für Anorganische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Str. 29, 09599 Freiberg, Germany.
The title Si complex, CHNOSi, is built up by a tridentate dinegative Schiff base ligand bound to a sila-cyclo-hexane unit. The coordination geometry of the penta-coordinated Si atom is a distorted trigonal bipyramid. The presence of the sila-cyclo-hexane ring in the complex leads to an unusual coordination geometry of the Si atom with the N atom from the Schiff base ligand and an alkyl-C atom in apical positions of the trigonal bipyramid.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
March 2024
Department of Chemistry, M.M.A.M.C (Tribhuvan University), Biratnagar, Nepal.
The crystal structures and Hirshfeld surface analyses of three similar compounds are reported. Methyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, (CHFNO), (), crystallizes in the monoclinic space group 2/ with = 8, while isopropyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carb-oxyl-ate, (CHFNO), () and -butyl 4-[4-(di-fluoro-meth-oxy)phen-yl]-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate, (CHFNO), () crystallize in the ortho-rhom-bic space group with = 8. In the crystal structure of (), mol-ecules are linked by N-H⋯O and C-H⋯O inter-actions, forming a tri-periodic network, while mol-ecules of () and () are linked by N-H⋯O, C-H⋯F and C-H⋯π inter-actions, forming layers parallel to (002).
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November 2022
Laboratoire de Cristallographie, Département de Physique, Université des Frères Mentouri de Constantine-1, 25000 Constantine, Algeria.
The title compound, CHOS, contains a cyclo-hexane-1,3-dione ring, which has a twist-boat conformation. The CS ring is close to planar (r.m.
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