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Crystal structure of 2-oxo-1,2-diphenylethyl diisopropylcarbamate

ABSTRACT: The title compound, C21H25NO3, crystallizes as a racemic twin in the chiral space group P21. Both R- and S-enantiomers are connected into infinite helical chains by weak C—H⋯O hydrogen bonds between the phenyl ring of the benzoyl group and the carbamate carbonyl group. The title compound, C21H25NO3, crystallized as a racemic twin in the Sohnke space group P21. In the molecular structure of the title compound, both enantiomers show a highly similar conformation with the urethane function and the benzoyl group showing an almost perpendicular arrangement [the dihedral angle is 72.46 (8)° in the S-enantiomer and 76.21 (8)° in the R-enantiomer]. In the crystal structure, molecules of both enantiomers show infinite helical arrangements parallel to the b axis formed by weak C—H⋯O hydrogen bonds between the phenyl ring of the benzoyl group and the carbamate carbonyl group. In case of the R-enantiomer, this helix is additionally stabilized by a bifurcated hydrogen bond between the carbonyl function of the benzoyl group towards both phenyl groups of the molecule.

SUBMITTER: Martens V

PROVIDER: S-EPMC8587984 | biostudies-literature |

REPOSITORIES: biostudies-literature

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