Crystal structure of 5-methyl-2-phenyl-1,3-dioxane-5-carboxylic acid, C12H14O4

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2-(2-Chloro­phen­yl)-5-methyl-1,3-dioxane-5-carboxylic acid

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The absolute structure of the chiral asymmetric indole precursor title compound, C11H13NO3S, was confirmed by refinement of the Flack and Hooft parameters and is that expected based on the starting materials for the synthesis. The phenyl group subtends a dihedral angle of 56.40 (5)° with the mean plane of the oxazolidinone ring, which adopts an envelope conformation, with the C atom bearing the...

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In the title compound, C21H17N3O2, the 2-hy-droxy-5-methyl-phenyl ring and the phenyl ring are inclined to the mean plane of the pyrazolo-pyridine moiety (r.m.s. deviation = 0.013 Å) by 52.89 (9) and 19.63 (8)°, respectively, and to each other by 42.83 (11)°. In the mol-ecule, there are intra-molecular O-H⋯O and C-H⋯N hydrogen bonds, both enclosing an S(6) ring motif. In the crystal, mol-ecules...

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ژورنال

عنوان ژورنال: Zeitschrift für Kristallographie - New Crystal Structures

سال: 2016

ISSN: 2197-4578,1433-7266

DOI: 10.1515/ncrs-2014-9009