Crystal structure of 3-(propan-2-yl)-1,3-oxazolidine-2-thione, C6H11NOS
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چکیده
منابع مشابه
Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one
In the title compound C18H20N2O2, the morpholine ring adopts a chair conformation with the exocyclic N-C bond in an equatorial orientation. The N atom of the morpholine ring and the C atom of the carbonyl group are in an anti conformation about the central C-C bond [torsion angle = -162.92 (11)°] and the dihedral angle between the planes of the benzene ring and the pyridine ring is 83.30 (5)°. ...
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In the title compound, C23H18N2O5S, the phenyl and benzene rings subtend dihedral angles of 78.18 (10) and 30.18 (9)°, respectively, with the indole ring system (r.m.s. deviation = 0.022 Å). The crystal structure features weak C-H⋯O and C-H⋯π inter-actions, which link the mol-ecules into a three-dimensional network.
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The title 1,3,4-oxa-diazole-2-thione derivative, C18H20N4OS2, crystallized with two independent mol-ecules (A and B) in the asymmetric unit. The 2-thienyl rings in both mol-ecules are rotationally disordered over two orientations by approximately 180° about the single C-C bond that connects it to the oxa-diazole thione ring; the ratios of site occupancies for the major and minor components were...
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The mononuclear complex salt, [Cu(C3H5NS2)(C6H8N2S3)]NO3, contains a [C9H13CuN3S5](+) cation and an NO3 (-) anion. All of the non-H atoms of the cation lie on a mirror plane, as do the N and one O atom of the nitrate anion, such that the planes of the cation and anion are mutually orthogonal. The cationic complex adopts a slightly distorted trigonal-planar geometry about the Cu(I) cation. In th...
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In this research at the first (RS)-1-[4-(2-Methoxyethyl)phenoxy]-3-[(propan-2-yl)amino]propan-2-oland its fullerene derivative were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. Different parameters such as energy levels, the amount of Chemical Shift in different atoms, the amount of HOMO/LUMO, chemical potential (µ ), chemica...
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ژورنال
عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures
سال: 2014
ISSN: 2197-4578,1433-7266
DOI: 10.1515/ncrs-2014-0037