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Crystal structure of rac-3-hy-droxy-2-(p-tol-yl)-2,3,3a,4,7,7a-hexa-hydro-1H-4,7-methano-isoindol-1-one.

ABSTRACT: In the title compound, C16H17NO2, the cyclo-hexene ring adopts a boat conformation, and the five-membered rings have envelope conformations with the bridging atom as the flap. Their mean planes are oriented at a dihedral angle of 86.51?(7)°. The mol-ecular structure is stabilized by a short intra-molecular C-H?O contact. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds forming chains propagating along [100]. The chains are linked by C-H?? inter-actions, forming slabs parallel to (001).

SUBMITTER: Aslantas M

PROVIDER: S-EPMC4350749 | biostudies-literature | 2015 Mar

REPOSITORIES: biostudies-literature

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Crystal structure of rac-3-hy-droxy-2-(p-tol-yl)-2,3,3a,4,7,7a-hexa-hydro-1H-4,7-methano-isoindol-1-one.

Aslantaş Mehmet M Çelik Cumali C Çelik Ömer Ö Karayel Arzu A

Acta crystallographica. Section E, Crystallographic communications 20150204 Pt 3

In the title compound, C16H17NO2, the cyclo-hexene ring adopts a boat conformation, and the five-membered rings have envelope conformations with the bridging atom as the flap. Their mean planes are oriented at a dihedral angle of 86.51 (7)°. The mol-ecular structure is stabilized by a short intra-molecular C-H⋯O contact. In the crystal, mol-ecules are linked by O-H⋯O hydrogen bonds forming chains propagating along [100]. The chains are linked by C-H⋯π inter-actions, forming slabs parallel to (00 ...[more]

PMID: 25844217

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