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Crystal structure of 5-benzoyl-2,4-di-phenyl-4,5-di-hydro-furan-3-carbo-nitrile.

ABSTRACT: In the title compound, C24H17NO2, the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O-C-C-O torsion angle is 4.62?(19)°. The puckering of the dihydro-furan ring is close to twisted ((4) T 5), with parameters Q = 0.1856?(16)?Å and ? = 313.5?(5)°. Mol-ecules are inter-connected via a C-H?N and a C-H?O hydrogen bond, leading to layers parallel to the (200) plane and characterized by R 4 (4)(28) and R 4 (4)(36) graph-set motifs. The furan O atom does not participate in inter-molecular hydrogen bonding. The crystal lattice encompasses a solvent-accessible void of 24.7?(8)?Å(3).

SUBMITTER: Rajni Swamy V

PROVIDER: S-EPMC4555400 | biostudies-literature | 2015 Sep

REPOSITORIES: biostudies-literature

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Crystal structure of 5-benzoyl-2,4-di-phenyl-4,5-di-hydro-furan-3-carbo-nitrile.

Rajni Swamy V V Krishnakumar R V RV Sivakumar S S Srinivasan N N Ranjith Kumar R R

Acta crystallographica. Section E, Crystallographic communications 20150815 Pt 9

In the title compound, C24H17NO2, the carbonyl O atom of the benzoyl group is cis with respect to the furanyl O atom, and the associated O-C-C-O torsion angle is 4.62 (19)°. The puckering of the dihydro-furan ring is close to twisted ((4) T 5), with parameters Q = 0.1856 (16) Å and φ = 313.5 (5)°. Mol-ecules are inter-connected via a C-H⋯N and a C-H⋯O hydrogen bond, leading to layers parallel to the (200) plane and characterized by R 4 (4)(28) and R 4 (4)(36) graph-set motifs. The furan O atom d ...[more]

PMID: 26396892

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