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(3aR,6aR)-1-Phenyl-5-[(R)-1-phenyl-ethyl]-3-[4-(trifluoro-meth-yl)phen-yl]-1,6a-dihydro-pyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione.

ABSTRACT: In the title mol-ecule, C(26)H(20)F(3)N(3)O(2), the two central five-membered rings form a dihedral angle of 62.94?(8)°. The absolute configuration was determined by analysis of Bijvoet pairs based on resonant scattering of light atoms, yielding a Hooft parameter y = -0.05?(11). Notable intra- and inter-molecular contacts include C-H?O and C-H??(arene) hydrogen bonds.

SUBMITTER: Fronczek CF

PROVIDER: S-EPMC2971765 | biostudies-literature | 2009 Nov

REPOSITORIES: biostudies-literature

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(3aR,6aR)-1-Phenyl-5-[(R)-1-phenyl-ethyl]-3-[4-(trifluoro-meth-yl)phen-yl]-1,6a-dihydro-pyrrolo[3,4-c]pyrazole-4,6(3aH,5H)-dione.

Fronczek Chris F CF Dürüst Yaşar Y Yildirim Muhammet M Fronczek Frank R FR

Acta crystallographica. Section E, Structure reports online 20091125 Pt 12

In the title mol-ecule, C(26)H(20)F(3)N(3)O(2), the two central five-membered rings form a dihedral angle of 62.94 (8)°. The absolute configuration was determined by analysis of Bijvoet pairs based on resonant scattering of light atoms, yielding a Hooft parameter y = -0.05 (11). Notable intra- and inter-molecular contacts include C-H⋯O and C-H⋯π(arene) hydrogen bonds. ...[more]

PMID: 21578907

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