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Ethyl 4-(4-methoxy-phen-yl)-2-oxo-6-phenyl-cyclo-hex-3-ene-1-carboxyl-ate.

ABSTRACT: The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol-ecules (A and B) which differ significantly in the orientations of ethyl carboxyl-ate groups. The phenyl ring in mol-ecule B is disordered over two orientations with occupancies of 0.55?(2) and 0.45?(2). The cyclo-hexenone ring of both mol-ecules adopts an envelope conformation. The dihedral angle between the two aromatic rings is 81.12?(7)° in mol-ecule A and 70.8?(3)° in mol-ecule B [57.5?(4)° in the minor disorder component]. The crystal structure is stabilized by weak intermolecular C-H?O hydrogen bonds and C-H?? inter-actions.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2960071 | biostudies-literature | 2008 Nov

REPOSITORIES: biostudies-literature

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Ethyl 4-(4-methoxy-phen-yl)-2-oxo-6-phenyl-cyclo-hex-3-ene-1-carboxyl-ate.

Fun Hoong-Kun HK   Jebas Samuel Robinson SR   Rao Jyothi N JN   Kalluraya B B  

Acta crystallographica. Section E, Structure reports online 20081126 Pt 12

The asymmetric unit of the title compound, C(22)H(22)O(4), consists of two independent mol-ecules (A and B) which differ significantly in the orientations of ethyl carboxyl-ate groups. The phenyl ring in mol-ecule B is disordered over two orientations with occupancies of 0.55 (2) and 0.45 (2). The cyclo-hexenone ring of both mol-ecules adopts an envelope conformation. The dihedral angle between the two aromatic rings is 81.12 (7)° in mol-ecule A and 70.8 (3)° in mol-ecule B [57.5 (4)° in the min  ...[more]

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