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(3aR,5R)-5-(4-Chloro-phen-yl)-1,2,3,3a-tetra-hydro-benzo[e]pyrrolo-[2,1-b][1,3]ox-azepin-10(5H)-one.

ABSTRACT: The title compound, C(18)H(16)ClNO(2), is the main product of a photoreaction. The two benzene rings make a dihedral angle of 86.40?(2)° with each other. The 1,3-oxazepine C atom to which the 4-chloro-phenyl group is attached and the C atom of the 4-chloro-phenyl group attached to the 1,3-oxazepine ring are chiral C atoms, but the crystal is a racemate in which the enanti-omers are linked by a pair of weak inter-molecular C-H?O hydrogen bond, forming an inversion dimer.

SUBMITTER: Jin YZ

PROVIDER: S-EPMC3152057 | biostudies-literature | 2011 Jul

REPOSITORIES: biostudies-literature

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(3aR,5R)-5-(4-Chloro-phen-yl)-1,2,3,3a-tetra-hydro-benzo[e]pyrrolo-[2,1-b][1,3]ox-azepin-10(5H)-one.

Jin Yun-Zhou YZ Zhang Rong-Hua RH Fu Da-Xu DX Lv Yao-Kang YK

Acta crystallographica. Section E, Structure reports online 20110611 Pt 7

The title compound, C(18)H(16)ClNO(2), is the main product of a photoreaction. The two benzene rings make a dihedral angle of 86.40 (2)° with each other. The 1,3-oxazepine C atom to which the 4-chloro-phenyl group is attached and the C atom of the 4-chloro-phenyl group attached to the 1,3-oxazepine ring are chiral C atoms, but the crystal is a racemate in which the enanti-omers are linked by a pair of weak inter-molecular C-H⋯O hydrogen bond, forming an inversion dimer. ...[more]

PMID: 21837002

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