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(5R)-3-(2-Chloro-acet-yl)-4-methyl-5-phenyl-1,3,4-oxadiazinan-2-one.

ABSTRACT: The 1,3,4-oxadiazinan-2-one ring in the title compound, C(12)H(13)ClN(2)O(3), is in a distorted half-chair conformation. The phenyl and chloro-acetyl groups occupy axial and equatorial positions, respectively, and lie to the opposite side of the mol-ecule to the N-bound methyl substituent. Mol-ecules are consolidated in the crystal structure by C-H⋯O inter-actions.

SUBMITTER: Caracelli I

PROVIDER: S-EPMC3152093 | biostudies-literature |

REPOSITORIES: biostudies-literature

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4-Methyl-3-(2-phenoxy-acet-yl)-5-phenyl-1,3,4-oxadiazinan-2-one.

Project description:The 1,3,4-oxadiazinane ring in the title compound, C(18)H(18)N(2)O(4), is in a twisted boat conformation. The two carbonyl groups are orientated towards the same side of the mol-ecule. The dihedral angle between the planes of the benzene rings is 76.6?(3)°. Mol-ecules are sustained in the three-dimensional structure by a combination of C-H?O, C-H?? and ?-? [shortest centroid-centroid distance = 3.672?(6)?Å] inter-actions.

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Project description:The title compound, C(16)H(12)Cl(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit. The dihedral angles between the planes of the benzene rings in the two independent mol-ecules are 68.65?(2) and 68.47?(3)°. The short distance of 3.899?(5)?Å between the centroids of the benzene rings of neighbouring mol-ecules indicate ?-? inter-actions. The crystal structure is stabilized by a network of intermolecular C-H?O hydrogen bonds.

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