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Rac-3-(4-Chloro-phen-yl)-3a,4-di-hydro-3H-chromeno[4,3-c]isoxazole-3a-carbo-nitrile.

ABSTRACT: The title compound, C17H11ClN2O2, which contains two stereogenic C atoms, crystallizes in a centrosymmetric space group as a racemate. The pyran ring and the isoxazole ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene ring and the mean plane through the near coplanar atoms of the pyran ring is 4.17?(5)°. The mol-ecular conformation features a weak C-H?O contact. In the crystal, C-H?O hydrogen bonds link the mol-ecules, forming chains along the a-axis direction.

SUBMITTER: Paramasivam S

PROVIDER: S-EPMC3648249 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature

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rac-3-(4-Chloro-phen-yl)-3a,4-di-hydro-3H-chromeno[4,3-c]isoxazole-3a-carbo-nitrile.

Paramasivam S S Srinivasan J J Seshadri P R PR Bakthadoss M M

Acta crystallographica. Section E, Structure reports online 20130413 Pt 5

The title compound, C17H11ClN2O2, which contains two stereogenic C atoms, crystallizes in a centrosymmetric space group as a racemate. The pyran ring and the isoxazole ring adopt sofa and twisted conformations, respectively. The dihedral angle between the benzene ring and the mean plane through the near coplanar atoms of the pyran ring is 4.17 (5)°. The mol-ecular conformation features a weak C-H⋯O contact. In the crystal, C-H⋯O hydrogen bonds link the mol-ecules, forming chains along the a-axis ...[more]

PMID: 23723869

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